N-(cyclopentylideneamino)butan-1-amine

C9H18N2 — CID 90800820

IUPACN-(cyclopentylideneamino)butan-1-amine
SMILESCCCCNN=C1CCCC1
InChIInChI=1S/C9H18N2/c1-2-3-8-10-11-9-6-4-5-7-9/h10H,2-8H2,1H3
InChIKeyXRXMMJXAVNTTQE-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.31
Rot. Bonds4

About N-(cyclopentylideneamino)butan-1-amine

N-(cyclopentylideneamino)butan-1-amine (PubChem CID 90800820) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-(cyclopentylideneamino)butan-1-amine.

Molecular Properties

Compound NameN-(cyclopentylideneamino)butan-1-amine
PubChem CID90800820
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-(cyclopentylideneamino)butan-1-amine
SMILESCCCCNN=C1CCCC1
InChIInChI=1S/C9H18N2/c1-2-3-8-10-11-9-6-4-5-7-9/h10H,2-8H2,1H3
InChIKeyXRXMMJXAVNTTQE-UHFFFAOYSA-N
XLogP2.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclohexylidenehydrazinyl)ethanol
CID 21452329
N-(cycloheptylideneamino)pentanamide
CID 3533607
N-cyclohexylidenehydroxylamine;hexane
CID 159104992
N-(cyclododecylideneamino)dodecanamide
CID 4575376
N-(cyclopentylidenemethyl)butan-1-amine
CID 167152600
2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
CID 4193527
N-(cyclobutylideneamino)methanamine
CID 123692685
N-cyclohexylidenehydroxylamine;octan-1-ol
CID 174496993
N-decoxycyclohexanimine
CID 23466975
(1E)-N-butylcycloocten-1-amine
CID 89153703
N-(benzylideneamino)butan-1-amine
CID 173252252
N-(cyclohexylideneamino)hydroxylamine
CID 12671827

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)butan-1-amine?
The IUPAC name of N-(cyclopentylideneamino)butan-1-amine (CID 90800820) is N-(cyclopentylideneamino)butan-1-amine.
What is the SMILES notation for N-(cyclopentylideneamino)butan-1-amine?
The canonical SMILES for N-(cyclopentylideneamino)butan-1-amine is CCCCNN=C1CCCC1.
What is the InChIKey of N-(cyclopentylideneamino)butan-1-amine?
The InChIKey is XRXMMJXAVNTTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-8-10-11-9-6-4-5-7-9/h10H,2-8H2,1H3.
What are the key properties of N-(cyclopentylideneamino)butan-1-amine?
N-(cyclopentylideneamino)butan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)butan-1-amine is sourced from PubChem (CID 90800820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).