2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine

C15H30N2 — CID 64917822

IUPAC2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine
SMILESCCC(CN)(C1CC1)N(C)C1CCCC(C)C1
InChIInChI=1S/C15H30N2/c1-4-15(11-16,13-8-9-13)17(3)14-7-5-6-12(2)10-14/h12-14H,4-11,16H2,1-3H3
InChIKeyOTTWBKNFRPLGDZ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.01
Rot. Bonds5

About 2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine

2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine (PubChem CID 64917822) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine
PubChem CID64917822
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine
SMILESCCC(CN)(C1CC1)N(C)C1CCCC(C)C1
InChIInChI=1S/C15H30N2/c1-4-15(11-16,13-8-9-13)17(3)14-7-5-6-12(2)10-14/h12-14H,4-11,16H2,1-3H3
InChIKeyOTTWBKNFRPLGDZ-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine (CID 64917822) is 2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine is CCC(CN)(C1CC1)N(C)C1CCCC(C)C1.
What is the InChIKey of 2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine?
The InChIKey is OTTWBKNFRPLGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-15(11-16,13-8-9-13)17(3)14-7-5-6-12(2)10-14/h12-14H,4-11,16H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine?
2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine is sourced from PubChem (CID 64917822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).