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

C13H29N3 — CID 103189119

IUPAC4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(C(C)CN(C)C)C1CCC(N)CC1
InChIInChI=1S/C13H29N3/c1-5-16(11(2)10-15(3)4)13-8-6-12(14)7-9-13/h11-13H,5-10,14H2,1-4H3
InChIKeyQTCCNWBSXAFDFG-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds5

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

4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine (PubChem CID 103189119) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine
PubChem CID103189119
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(C(C)CN(C)C)C1CCC(N)CC1
InChIInChI=1S/C13H29N3/c1-5-16(11(2)10-15(3)4)13-8-6-12(14)7-9-13/h11-13H,5-10,14H2,1-4H3
InChIKeyQTCCNWBSXAFDFG-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine
CID 80557958
4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine
CID 79115733
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine
CID 103188400
N-butan-2-yl-N-ethylcyclopropanamine
CID 123791449
3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one
CID 103189904
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62807255
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine
CID 103188347
4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79112216
2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187895
4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 79115906
4-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine
CID 18419789
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine (CID 103189119) is 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine is CCN(C(C)CN(C)C)C1CCC(N)CC1.
What is the InChIKey of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine?
The InChIKey is QTCCNWBSXAFDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-16(11(2)10-15(3)4)13-8-6-12(14)7-9-13/h11-13H,5-10,14H2,1-4H3.
What are the key properties of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine?
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine is sourced from PubChem (CID 103189119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).