2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide

C15H31N3O — CID 65072399

IUPAC2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC1CCCN(C(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-12(2)15(19)17-9-8-16-14-6-5-10-18(11-7-14)13(3)4/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyXRHOFJXEKPFRBT-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds6

About 2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide

2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide (PubChem CID 65072399) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
PubChem CID65072399
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC1CCCN(C(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-12(2)15(19)17-9-8-16-14-6-5-10-18(11-7-14)13(3)4/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyXRHOFJXEKPFRBT-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
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2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
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2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate
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2-[[(1-propan-2-ylazepan-4-yl)amino]methyl]phenol
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tert-butyl N-[4-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107247033
2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol
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2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide
CID 61248306
N-(4-imidazol-1-ylbutyl)-1-propan-2-ylazepan-4-amine
CID 65073591

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide (CID 65072399) is 2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide is CC(C)C(=O)NCCNC1CCCN(C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide?
The InChIKey is XRHOFJXEKPFRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)15(19)17-9-8-16-14-6-5-10-18(11-7-14)13(3)4/h12-14,16H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide?
2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide is sourced from PubChem (CID 65072399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).