4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide

C14H27N3O — CID 114153809

IUPAC4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)NCCC1=CCCC1
InChIInChI=1S/C14H27N3O/c1-2-8-17-14(18)10-13(11-15)16-9-7-12-5-3-4-6-12/h5,13,16H,2-4,6-11,15H2,1H3,(H,17,18)
InChIKeyYQDKRDNXJWIHIA-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.32
Rot. Bonds9

About 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide

4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide (PubChem CID 114153809) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide
PubChem CID114153809
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)NCCC1=CCCC1
InChIInChI=1S/C14H27N3O/c1-2-8-17-14(18)10-13(11-15)16-9-7-12-5-3-4-6-12/h5,13,16H,2-4,6-11,15H2,1H3,(H,17,18)
InChIKeyYQDKRDNXJWIHIA-UHFFFAOYSA-N
XLogP1.32
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
CID 106175130
N-[2-(cyclopenten-1-yl)ethyl]-2-ethoxyacetamide
CID 103842215
6-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-ethylhexanamide
CID 106175300
methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate
CID 106173950
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide
CID 115895860
N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide
CID 25246872
4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
CID 106175448
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068
2-[2-(cyclopenten-1-yl)ethylamino]-N-pentan-2-ylacetamide
CID 114153921
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide?
The IUPAC name of 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide (CID 114153809) is 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide?
The canonical SMILES for 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide is CCCNC(=O)CC(CN)NCCC1=CCCC1.
What is the InChIKey of 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide?
The InChIKey is YQDKRDNXJWIHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-8-17-14(18)10-13(11-15)16-9-7-12-5-3-4-6-12/h5,13,16H,2-4,6-11,15H2,1H3,(H,17,18).
What are the key properties of 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide?
4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide has a molecular weight of 253.39 g/mol, XLogP of 1.32, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide is sourced from PubChem (CID 114153809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).