1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine

C13H28N2 — CID 43205547

IUPAC1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CNC1CCCCC1)N(C)C
InChIInChI=1S/C13H28N2/c1-11(2)13(15(3)4)10-14-12-8-6-5-7-9-12/h11-14H,5-10H2,1-4H3
InChIKeyZWMFODCSDGIECC-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds5

About 1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43205547) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43205547
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CNC1CCCCC1)N(C)C
InChIInChI=1S/C13H28N2/c1-11(2)13(15(3)4)10-14-12-8-6-5-7-9-12/h11-14H,5-10H2,1-4H3
InChIKeyZWMFODCSDGIECC-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,3-trimethyl-1-N-(4-methylcyclohexyl)butane-1,2-diamine
CID 43205434
1-N-cyclopentyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 61044044
2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 43205442
2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine
CID 43094810
N-[(2S)-2,3-dimethylbutyl]cyclopentanamine
CID 59085010
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride
CID 115584803
1-(cyclooctylamino)propan-2-ol
CID 20539535
1-(cycloheptylamino)propan-2-ol
CID 43392225
1-N-(2,2-dimethylcyclopentyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 79864207
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 106871598

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43205547) is 1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine is CC(C)C(CNC1CCCCC1)N(C)C.
What is the InChIKey of 1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is ZWMFODCSDGIECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)13(15(3)4)10-14-12-8-6-5-7-9-12/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43205547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).