N-(cyclobutylidenemethyl)propan-1-amine

C8H15N — CID 142065368

IUPACN-(cyclobutylidenemethyl)propan-1-amine
SMILESCCCNC=C1CCC1
InChIInChI=1S/C8H15N/c1-2-6-9-7-8-4-3-5-8/h7,9H,2-6H2,1H3
InChIKeyRLQVVLPSYLKTSW-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.05
Rot. Bonds3

About N-(cyclobutylidenemethyl)propan-1-amine

N-(cyclobutylidenemethyl)propan-1-amine (PubChem CID 142065368) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-(cyclobutylidenemethyl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclobutylidenemethyl)propan-1-amine
PubChem CID142065368
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-(cyclobutylidenemethyl)propan-1-amine
SMILESCCCNC=C1CCC1
InChIInChI=1S/C8H15N/c1-2-6-9-7-8-4-3-5-8/h7,9H,2-6H2,1H3
InChIKeyRLQVVLPSYLKTSW-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylidenemethyl)propan-1-amine?
The IUPAC name of N-(cyclobutylidenemethyl)propan-1-amine (CID 142065368) is N-(cyclobutylidenemethyl)propan-1-amine.
What is the SMILES notation for N-(cyclobutylidenemethyl)propan-1-amine?
The canonical SMILES for N-(cyclobutylidenemethyl)propan-1-amine is CCCNC=C1CCC1.
What is the InChIKey of N-(cyclobutylidenemethyl)propan-1-amine?
The InChIKey is RLQVVLPSYLKTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-6-9-7-8-4-3-5-8/h7,9H,2-6H2,1H3.
What are the key properties of N-(cyclobutylidenemethyl)propan-1-amine?
N-(cyclobutylidenemethyl)propan-1-amine has a molecular weight of 125.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylidenemethyl)propan-1-amine is sourced from PubChem (CID 142065368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).