[4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate

C18H34N2O3 — CID 23594696

IUPAC[4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate
SMILESC=CCC(C)C(OC(=O)CNC)C(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C18H34N2O3/c1-9-10-14(6)18(23-15(21)11-19-7)16(17(22)12(2)3)20(8)13(4)5/h9,12-14,16,18-19H,1,10-11H2,2-8H3
InChIKeyDLTYNDLBGGGEDA-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.26
Rot. Bonds11

About [4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate

[4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate (PubChem CID 23594696) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is [4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate.

Molecular Properties

Compound Name[4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate
PubChem CID23594696
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Name[4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate
SMILESC=CCC(C)C(OC(=O)CNC)C(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C18H34N2O3/c1-9-10-14(6)18(23-15(21)11-19-7)16(17(22)12(2)3)20(8)13(4)5/h9,12-14,16,18-19H,1,10-11H2,2-8H3
InChIKeyDLTYNDLBGGGEDA-UHFFFAOYSA-N
XLogP2.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one
CID 153494768
[(5S)-5-(1-acetyloxyethoxycarbonylamino)-6-[[2-[(E,4S,5R,6R)-2,6-dimethyl-4-[methyl(propan-2-yl)amino]-3-oxodec-8-en-5-yl]oxy-2-oxoethyl]-methylamino]-6-oxohexyl]-trimethylazanium
CID 58593510
4-(dimethylamino)-2-methylhept-6-en-3-one
CID 10821021
pent-1-en-3-yl 2-(methylamino)acetate
CID 170207067
[(1E)-4,5-dimethylocta-1,7-dienyl] propanoate
CID 101283460
3-methyl-1-propan-2-yl-1-prop-2-enylurea
CID 115588417
hex-5-en-2-yl 2-(trideuteriomethylamino)acetate
CID 155760043
1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid
CID 174330894
1-ethoxypropan-2-yl 2-(methylamino)acetate
CID 103489136
(4S,5S)-4-[tert-butyl(methyl)amino]-2,5-dimethylheptan-3-one
CID 177276642
(2S,3S)-2-(methoxymethyl)-3-methylhex-5-enoic acid
CID 146545497
pent-4-en-2-yl 3-chlorobutanoate
CID 527686

Frequently Asked Questions

What is the IUPAC name of [4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate?
The IUPAC name of [4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate (CID 23594696) is [4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate.
What is the SMILES notation for [4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate?
The canonical SMILES for [4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate is C=CCC(C)C(OC(=O)CNC)C(C(=O)C(C)C)N(C)C(C)C.
What is the InChIKey of [4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate?
The InChIKey is DLTYNDLBGGGEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-9-10-14(6)18(23-15(21)11-19-7)16(17(22)12(2)3)20(8)13(4)5/h9,12-14,16,18-19H,1,10-11H2,2-8H3.
What are the key properties of [4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate?
[4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate has a molecular weight of 326.48 g/mol, XLogP of 2.26, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate is sourced from PubChem (CID 23594696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).