1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine

C14H30N2 — CID 62569636

IUPAC1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine
SMILESCC(C)CCN(C)C(C)CNC1CCCC1
InChIInChI=1S/C14H30N2/c1-12(2)9-10-16(4)13(3)11-15-14-7-5-6-8-14/h12-15H,5-11H2,1-4H3
InChIKeyKIFHEXUXCSRTSO-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds7

About 1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine

1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine (PubChem CID 62569636) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine
PubChem CID62569636
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine
SMILESCC(C)CCN(C)C(C)CNC1CCCC1
InChIInChI=1S/C14H30N2/c1-12(2)9-10-16(4)13(3)11-15-14-7-5-6-8-14/h12-15H,5-11H2,1-4H3
InChIKeyKIFHEXUXCSRTSO-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The IUPAC name of 1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine (CID 62569636) is 1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine is CC(C)CCN(C)C(C)CNC1CCCC1.
What is the InChIKey of 1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The InChIKey is KIFHEXUXCSRTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)9-10-16(4)13(3)11-15-14-7-5-6-8-14/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine?
1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 62569636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).