1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine

C12H26N2 — CID 79829475

IUPAC1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCN(C)C1CCCC(C)(C)C1N
InChIInChI=1S/C12H26N2/c1-5-9-14(4)10-7-6-8-12(2,3)11(10)13/h10-11H,5-9,13H2,1-4H3
InChIKeyKCMKCPRJCUWQSR-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds3

About 1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine

1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 79829475) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
PubChem CID79829475
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCN(C)C1CCCC(C)(C)C1N
InChIInChI=1S/C12H26N2/c1-5-9-14(4)10-7-6-8-12(2,3)11(10)13/h10-11H,5-9,13H2,1-4H3
InChIKeyKCMKCPRJCUWQSR-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine (CID 79829475) is 1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine is CCCN(C)C1CCCC(C)(C)C1N.
What is the InChIKey of 1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is KCMKCPRJCUWQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-9-14(4)10-7-6-8-12(2,3)11(10)13/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine?
1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 79829475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).