2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine

C16H32N2 — CID 78974066

IUPAC2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(CCC(C)C)C2CC2)C1
InChIInChI=1S/C16H32N2/c1-4-13-5-8-15(17)16(11-13)18(14-6-7-14)10-9-12(2)3/h12-16H,4-11,17H2,1-3H3
InChIKeyQQVNPCTXWMEOJZ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds6

About 2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine

2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine (PubChem CID 78974066) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
PubChem CID78974066
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(CCC(C)C)C2CC2)C1
InChIInChI=1S/C16H32N2/c1-4-13-5-8-15(17)16(11-13)18(14-6-7-14)10-9-12(2)3/h12-16H,4-11,17H2,1-3H3
InChIKeyQQVNPCTXWMEOJZ-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine (CID 78974066) is 2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine is CCC1CCC(N)C(N(CCC(C)C)C2CC2)C1.
What is the InChIKey of 2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine?
The InChIKey is QQVNPCTXWMEOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-13-5-8-15(17)16(11-13)18(14-6-7-14)10-9-12(2)3/h12-16H,4-11,17H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine?
2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 78974066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).