4-amino-N-(3-amino-5-methylcyclohexyl)butanamide

C11H23N3O — CID 143974251

IUPAC4-amino-N-(3-amino-5-methylcyclohexyl)butanamide
SMILESCC1CC(N)CC(NC(=O)CCCN)C1
InChIInChI=1S/C11H23N3O/c1-8-5-9(13)7-10(6-8)14-11(15)3-2-4-12/h8-10H,2-7,12-13H2,1H3,(H,14,15)
InChIKeyREWLBEKGZFIFRR-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.36
Rot. Bonds4

About 4-amino-N-(3-amino-5-methylcyclohexyl)butanamide

4-amino-N-(3-amino-5-methylcyclohexyl)butanamide (PubChem CID 143974251) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-amino-N-(3-amino-5-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(3-amino-5-methylcyclohexyl)butanamide
PubChem CID143974251
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-amino-N-(3-amino-5-methylcyclohexyl)butanamide
SMILESCC1CC(N)CC(NC(=O)CCCN)C1
InChIInChI=1S/C11H23N3O/c1-8-5-9(13)7-10(6-8)14-11(15)3-2-4-12/h8-10H,2-7,12-13H2,1H3,(H,14,15)
InChIKeyREWLBEKGZFIFRR-UHFFFAOYSA-N
XLogP0.36
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43317968
6-amino-N-(3,5-dimethylcyclohexyl)-4,4-dimethylhexanamide
CID 65291109
4-amino-N-(2-aminocyclopropyl)butanamide
CID 131206952
N-(3-aminocyclobutyl)pent-4-enamide
CID 62677212
4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide
CID 143974335
4-amino-N-(2,4-dimethylcyclohexyl)butanamide
CID 63997351
6-amino-N-(4-methylcycloheptyl)hexanamide
CID 114100037
cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 106322808
4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119319062
4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride
CID 119889114
4-amino-N-(thian-4-yl)butanamide;hydrochloride
CID 119313242
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]butanamide
CID 79401523

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-amino-5-methylcyclohexyl)butanamide?
The IUPAC name of 4-amino-N-(3-amino-5-methylcyclohexyl)butanamide (CID 143974251) is 4-amino-N-(3-amino-5-methylcyclohexyl)butanamide.
What is the SMILES notation for 4-amino-N-(3-amino-5-methylcyclohexyl)butanamide?
The canonical SMILES for 4-amino-N-(3-amino-5-methylcyclohexyl)butanamide is CC1CC(N)CC(NC(=O)CCCN)C1.
What is the InChIKey of 4-amino-N-(3-amino-5-methylcyclohexyl)butanamide?
The InChIKey is REWLBEKGZFIFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8-5-9(13)7-10(6-8)14-11(15)3-2-4-12/h8-10H,2-7,12-13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-(3-amino-5-methylcyclohexyl)butanamide?
4-amino-N-(3-amino-5-methylcyclohexyl)butanamide has a molecular weight of 213.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-amino-5-methylcyclohexyl)butanamide is sourced from PubChem (CID 143974251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).