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

C14H30N2 — CID 16771409

IUPACN-(4-tert-butylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-14(2,3)12-6-8-13(9-7-12)15-10-11-16(4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyPDWUJFVMOFGGQA-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds4

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

N-(4-tert-butylcyclohexyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 16771409) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID16771409
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(4-tert-butylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-14(2,3)12-6-8-13(9-7-12)15-10-11-16(4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyPDWUJFVMOFGGQA-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(4-tert-butylcyclohexyl)-N',N'-dimethylethane-1,2-diamine (CID 16771409) is N-(4-tert-butylcyclohexyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is PDWUJFVMOFGGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-14(2,3)12-6-8-13(9-7-12)15-10-11-16(4)5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-N',N'-dimethylethane-1,2-diamine?
N-(4-tert-butylcyclohexyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 16771409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).