N-butylcyclobuten-1-amine

C8H15N — CID 23298660

IUPACN-butylcyclobuten-1-amine
SMILESCCCCNC1=CCC1
InChIInChI=1S/C8H15N/c1-2-3-7-9-8-5-4-6-8/h5,9H,2-4,6-7H2,1H3
InChIKeyFNHLVCJCAQZUDW-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.05
Rot. Bonds4

About N-butylcyclobuten-1-amine

N-butylcyclobuten-1-amine (PubChem CID 23298660) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-butylcyclobuten-1-amine.

Molecular Properties

Compound NameN-butylcyclobuten-1-amine
PubChem CID23298660
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-butylcyclobuten-1-amine
SMILESCCCCNC1=CCC1
InChIInChI=1S/C8H15N/c1-2-3-7-9-8-5-4-6-8/h5,9H,2-4,6-7H2,1H3
InChIKeyFNHLVCJCAQZUDW-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methyltetrahydropyridine
CID 12231236
2-Pyrroline, 2-ethyl-
CID 23422339
5-methyl-2,3-dihydro-1H-pyrrole
CID 19816704
N-[(Z)-but-2-en-2-yl]butan-1-amine
CID 134894556
N-(3,3,3-trifluoropropyl)cyclobuten-1-amine
CID 175691689
3,4-Bis(N-butylamino)-3-cyclobuten
CID 129646636
2-n-Propyl-5-methylpyrroline
CID 129878441
6-Ethyl-1,2,3,4-tetrahydropyridine
CID 12231237
N-ethylbut-1-en-2-amine
CID 18731820
N-methylcyclobuten-1-amine
CID 21830261
5-propyl-2,3-dihydro-1H-pyrrole
CID 44718755
6-Propyl-1,2,3,4-tetrahydropyridine
CID 55288253

Frequently Asked Questions

What is the IUPAC name of N-butylcyclobuten-1-amine?
The IUPAC name of N-butylcyclobuten-1-amine (CID 23298660) is N-butylcyclobuten-1-amine.
What is the SMILES notation for N-butylcyclobuten-1-amine?
The canonical SMILES for N-butylcyclobuten-1-amine is CCCCNC1=CCC1.
What is the InChIKey of N-butylcyclobuten-1-amine?
The InChIKey is FNHLVCJCAQZUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-7-9-8-5-4-6-8/h5,9H,2-4,6-7H2,1H3.
What are the key properties of N-butylcyclobuten-1-amine?
N-butylcyclobuten-1-amine has a molecular weight of 125.21 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylcyclobuten-1-amine is sourced from PubChem (CID 23298660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).