2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine

C14H31N3 — CID 103188347

IUPAC2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1CC(C)CCC1N
InChIInChI=1S/C14H31N3/c1-6-17(12(3)10-16(4)5)14-9-11(2)7-8-13(14)15/h11-14H,6-10,15H2,1-5H3
InChIKeyMBZONRSRNWONOY-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.77
Rot. Bonds5

About 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine

2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine (PubChem CID 103188347) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine
PubChem CID103188347
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1CC(C)CCC1N
InChIInChI=1S/C14H31N3/c1-6-17(12(3)10-16(4)5)14-9-11(2)7-8-13(14)15/h11-14H,6-10,15H2,1-5H3
InChIKeyMBZONRSRNWONOY-UHFFFAOYSA-N
XLogP1.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine
CID 103188400
4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine
CID 43269484
2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187895
2-N-(1-methoxypropan-2-yl)-2-N,4-dimethylcyclohexane-1,2-diamine
CID 61453513
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine
CID 103189119
2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 43265755
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid
CID 103191967
2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol
CID 103190447
2-N,4-diethyl-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine
CID 55011662
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 103188428
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile
CID 103188900
2-N-butan-2-yl-2-N-ethylcyclohexane-1,2-diamine
CID 43274468

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine (CID 103188347) is 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine is CCN(C(C)CN(C)C)C1CC(C)CCC1N.
What is the InChIKey of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine?
The InChIKey is MBZONRSRNWONOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-17(12(3)10-16(4)5)14-9-11(2)7-8-13(14)15/h11-14H,6-10,15H2,1-5H3.
What are the key properties of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine?
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 103188347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).