1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine

C13H28N2 — CID 79828501

IUPAC1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCN(CC)C1CCCC(C)(C)C1N
InChIInChI=1S/C13H28N2/c1-5-10-15(6-2)11-8-7-9-13(3,4)12(11)14/h11-12H,5-10,14H2,1-4H3
InChIKeyMQBMXTFDKCCRRU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds4

About 1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine

1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 79828501) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine
PubChem CID79828501
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCN(CC)C1CCCC(C)(C)C1N
InChIInChI=1S/C13H28N2/c1-5-10-15(6-2)11-8-7-9-13(3,4)12(11)14/h11-12H,5-10,14H2,1-4H3
InChIKeyMQBMXTFDKCCRRU-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79829475
1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79829556
6-[[ethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852215
N,N-diethyl-2,2-dimethylcyclopentan-1-amine
CID 126990162
1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine
CID 79828360
1-N-[3-(diethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 102992521
6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol
CID 79836124
1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
CID 79864399
1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79828938
1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 102992323
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine
CID 79865875
6-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79848872

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine (CID 79828501) is 1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine is CCCN(CC)C1CCCC(C)(C)C1N.
What is the InChIKey of 1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is MQBMXTFDKCCRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-10-15(6-2)11-8-7-9-13(3,4)12(11)14/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine?
1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 79828501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).