2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine

C14H28N2 — CID 61440402

IUPAC2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine
SMILESCCCN(CC1CC1)C1CC(C)CCC1N
InChIInChI=1S/C14H28N2/c1-3-8-16(10-12-5-6-12)14-9-11(2)4-7-13(14)15/h11-14H,3-10,15H2,1-2H3
InChIKeyVSIMHSYYWRKLFK-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.62
Rot. Bonds5

About 2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine

2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine (PubChem CID 61440402) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine
PubChem CID61440402
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine
SMILESCCCN(CC1CC1)C1CC(C)CCC1N
InChIInChI=1S/C14H28N2/c1-3-8-16(10-12-5-6-12)14-9-11(2)4-7-13(14)15/h11-14H,3-10,15H2,1-2H3
InChIKeyVSIMHSYYWRKLFK-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine (CID 61440402) is 2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine is CCCN(CC1CC1)C1CC(C)CCC1N.
What is the InChIKey of 2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine?
The InChIKey is VSIMHSYYWRKLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-8-16(10-12-5-6-12)14-9-11(2)4-7-13(14)15/h11-14H,3-10,15H2,1-2H3.
What are the key properties of 2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine?
2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 61440402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).