1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine

C11H24N2 — CID 63831789

IUPAC1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine
SMILESCC(N)CCNCC1(C)CCCC1
InChIInChI=1S/C11H24N2/c1-10(12)5-8-13-9-11(2)6-3-4-7-11/h10,13H,3-9,12H2,1-2H3
InChIKeyFGKRHCHKVZYKOU-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.89
Rot. Bonds5

About 1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine

1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine (PubChem CID 63831789) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine
PubChem CID63831789
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine
SMILESCC(N)CCNCC1(C)CCCC1
InChIInChI=1S/C11H24N2/c1-10(12)5-8-13-9-11(2)6-3-4-7-11/h10,13H,3-9,12H2,1-2H3
InChIKeyFGKRHCHKVZYKOU-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine?
The IUPAC name of 1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine (CID 63831789) is 1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine.
What is the SMILES notation for 1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine?
The canonical SMILES for 1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine is CC(N)CCNCC1(C)CCCC1.
What is the InChIKey of 1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine?
The InChIKey is FGKRHCHKVZYKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(12)5-8-13-9-11(2)6-3-4-7-11/h10,13H,3-9,12H2,1-2H3.
What are the key properties of 1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine?
1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-methylcyclopentyl)methyl]butane-1,3-diamine is sourced from PubChem (CID 63831789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).