4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide

C15H32N4O — CID 63892034

IUPAC4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCN1CCCN(CCCCCN)CC1
InChIInChI=1S/C15H32N4O/c1-17-15(20)7-5-10-19-12-6-11-18(13-14-19)9-4-2-3-8-16/h2-14,16H2,1H3,(H,17,20)
InChIKeyCXTUBIICODZENH-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.65
Rot. Bonds9

About 4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide

4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide (PubChem CID 63892034) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide
PubChem CID63892034
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCN1CCCN(CCCCCN)CC1
InChIInChI=1S/C15H32N4O/c1-17-15(20)7-5-10-19-12-6-11-18(13-14-19)9-4-2-3-8-16/h2-14,16H2,1H3,(H,17,20)
InChIKeyCXTUBIICODZENH-UHFFFAOYSA-N
XLogP0.65
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(methylamino)-4-oxobutyl]-1,4-diazepan-1-yl]acetic acid
CID 63892098
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide
CID 63892035
4-(4-nonyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252867
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethanol
CID 43253174
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide
CID 43253136
N-methyl-3-pyrrolidin-1-ylpropanamide
CID 20700879
4-[4-(cyanomethyl)piperazin-1-yl]-N-methylbutanamide
CID 63891643
N-methyl-4-[4-(methylamino)piperidin-1-yl]butanamide
CID 63891147
N-methyl-7-morpholin-4-ylheptanamide
CID 176680363
methyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 174315697
4-[4-(4-aminobutyl)piperazin-1-yl]butanoic acid
CID 59708799

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide?
The IUPAC name of 4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide (CID 63892034) is 4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide is CNC(=O)CCCN1CCCN(CCCCCN)CC1.
What is the InChIKey of 4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide?
The InChIKey is CXTUBIICODZENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-17-15(20)7-5-10-19-12-6-11-18(13-14-19)9-4-2-3-8-16/h2-14,16H2,1H3,(H,17,20).
What are the key properties of 4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide?
4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide has a molecular weight of 284.45 g/mol, XLogP of 0.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide is sourced from PubChem (CID 63892034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).