6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide

C15H29N3O2 — CID 79401305

IUPAC6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C15H29N3O2/c1-15(2,9-10-16)8-7-13(19)17-11-3-4-14(20)18-12-5-6-12/h12H,3-11,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUBKRNBXEINCZMD-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.32
Rot. Bonds10

About 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide

6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide (PubChem CID 79401305) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
PubChem CID79401305
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C15H29N3O2/c1-15(2,9-10-16)8-7-13(19)17-11-3-4-14(20)18-12-5-6-12/h12H,3-11,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUBKRNBXEINCZMD-UHFFFAOYSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide
CID 79401456
4-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxamide
CID 65290886
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]butanamide
CID 79401523
cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
CID 106322969
6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
CID 107842588
6-amino-N-(3-cyclohexyloxypropyl)-4,4-dimethylhexanamide
CID 65292212
4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide
CID 79376552
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
6-amino-N-(3,5-dimethylcyclohexyl)-4,4-dimethylhexanamide
CID 65291109
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide
CID 79401001
6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide
CID 103063106
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide (CID 79401305) is 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide is CC(C)(CCN)CCC(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide?
The InChIKey is UBKRNBXEINCZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,9-10-16)8-7-13(19)17-11-3-4-14(20)18-12-5-6-12/h12H,3-11,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide?
6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide has a molecular weight of 283.42 g/mol, XLogP of 1.32, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide is sourced from PubChem (CID 79401305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).