N'-(4-tert-butylcyclohexyl)ethane-1,2-diamine

C12H26N2 — CID 60889869

IUPACN'-(4-tert-butylcyclohexyl)ethane-1,2-diamine
SMILESCC(C)(C)C1CCC(NCCN)CC1
InChIInChI=1S/C12H26N2/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h10-11,14H,4-9,13H2,1-3H3
InChIKeyMGUQDRJJZIYNHH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.14
Rot. Bonds3

About N'-(4-tert-butylcyclohexyl)ethane-1,2-diamine

N'-(4-tert-butylcyclohexyl)ethane-1,2-diamine (PubChem CID 60889869) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-(4-tert-butylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-tert-butylcyclohexyl)ethane-1,2-diamine
PubChem CID60889869
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-(4-tert-butylcyclohexyl)ethane-1,2-diamine
SMILESCC(C)(C)C1CCC(NCCN)CC1
InChIInChI=1S/C12H26N2/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h10-11,14H,4-9,13H2,1-3H3
InChIKeyMGUQDRJJZIYNHH-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-tert-butylcyclohexyl)ethane-1,2-diamine (CID 60889869) is N'-(4-tert-butylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-tert-butylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-tert-butylcyclohexyl)ethane-1,2-diamine is CC(C)(C)C1CCC(NCCN)CC1.
What is the InChIKey of N'-(4-tert-butylcyclohexyl)ethane-1,2-diamine?
The InChIKey is MGUQDRJJZIYNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h10-11,14H,4-9,13H2,1-3H3.
What are the key properties of N'-(4-tert-butylcyclohexyl)ethane-1,2-diamine?
N'-(4-tert-butylcyclohexyl)ethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 60889869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).