2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide

C18H35N3O2 — CID 142456909

IUPAC2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide
SMILESC=C(C(N)CC)N(C)CC(=O)N(C)C(CC(C)C)C(=O)C(C)C
InChIInChI=1S/C18H35N3O2/c1-9-15(19)14(6)20(7)11-17(22)21(8)16(10-12(2)3)18(23)13(4)5/h12-13,15-16H,6,9-11,19H2,1-5,7-8H3
InChIKeyFIAHKUFJMVJRSA-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.27
Rot. Bonds10

About 2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide

2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide (PubChem CID 142456909) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide
PubChem CID142456909
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide
SMILESC=C(C(N)CC)N(C)CC(=O)N(C)C(CC(C)C)C(=O)C(C)C
InChIInChI=1S/C18H35N3O2/c1-9-15(19)14(6)20(7)11-17(22)21(8)16(10-12(2)3)18(23)13(4)5/h12-13,15-16H,6,9-11,19H2,1-5,7-8H3
InChIKeyFIAHKUFJMVJRSA-UHFFFAOYSA-N
XLogP2.27
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide with MolForge

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Related Compounds

2-[[2-[(3-Amino-9,9-dimethyl-6-oxodec-1-en-2-yl)amino]acetyl]amino]acetamide
CID 89369313
(2S)-2-[[(2R)-2-[[(3S)-3-[[(2S)-2-[[(3S)-3,4-dimethylpent-1-en-2-yl]-methylamino]propanoyl]amino]but-1-en-2-yl]amino]propanoyl]-methylamino]-N,4-dimethyl-N-[(3S)-5-methyl-2-oxohexan-3-yl]pentanamide
CID 132215301
2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide;propane
CID 142456908
acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane
CID 143394162
(Z)-4,5-diamino-2-(heptadec-1-en-2-ylamino)-N-[(2S)-1-[(2-methyl-4-oxopentan-3-yl)amino]-1-oxopropan-2-yl]pent-4-enamide
CID 143986772
ethane;N-[3-methyl-1-oxo-1-[[(4S)-2,6,7-trimethyl-5-oxooct-7-en-4-yl]amino]butan-2-yl]hexanamide;molecular hydrogen
CID 144509200
ethane;N-[(2R)-3-methyl-1-oxo-1-[[(4S)-2,6,7-trimethyl-5-oxooct-7-en-4-yl]amino]butan-2-yl]hexanamide;molecular hydrogen
CID 144509229
butane;N-[(3R)-2-[2-[(2,6-dimethyl-3-methylideneheptan-4-yl)amino]prop-2-enylamino]-4-methylpent-1-en-3-yl]hexanamide;ethane
CID 144509231
heptane;N-[2-[methyl(3-methylbutyl)amino]ethyl]butanamide;N-propan-2-ylpent-1-en-2-amine
CID 144715712
(2S)-N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-3-methyl-2-(propan-2-ylamino)but-3-enamide
CID 146203924
6-methyl-N-[1-[[2-methyl-8-(7-methyloct-1-en-2-ylamino)-3-oxooctan-4-yl]amino]-6-(7-methyloct-1-en-2-ylamino)-1-oxohexan-2-yl]heptanamide
CID 155456094
N,2-dimethyl-N-[2-[methyl-[1-[[(3S)-4-methyl-2-[[2-[methyl(2-oxopropyl)amino]-2-oxoethyl]amino]pent-1-en-3-yl]amino]-1-oxopropan-2-yl]amino]ethyl]propanamide
CID 156205152

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide?
The IUPAC name of 2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide (CID 142456909) is 2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide.
What is the SMILES notation for 2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide?
The canonical SMILES for 2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide is C=C(C(N)CC)N(C)CC(=O)N(C)C(CC(C)C)C(=O)C(C)C.
What is the InChIKey of 2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide?
The InChIKey is FIAHKUFJMVJRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-9-15(19)14(6)20(7)11-17(22)21(8)16(10-12(2)3)18(23)13(4)5/h12-13,15-16H,6,9-11,19H2,1-5,7-8H3.
What are the key properties of 2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide?
2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide has a molecular weight of 325.50 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide is sourced from PubChem (CID 142456909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).