1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine

C15H33N3 — CID 79618827

IUPAC1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine
SMILESCCCN(CCN(C)C)C1CCCC(NCC)C1
InChIInChI=1S/C15H33N3/c1-5-10-18(12-11-17(3)4)15-9-7-8-14(13-15)16-6-2/h14-16H,5-13H2,1-4H3
InChIKeyXAYYUGKZGARCSO-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds8

About 1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine

1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine (PubChem CID 79618827) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine
PubChem CID79618827
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine
SMILESCCCN(CCN(C)C)C1CCCC(NCC)C1
InChIInChI=1S/C15H33N3/c1-5-10-18(12-11-17(3)4)15-9-7-8-14(13-15)16-6-2/h14-16H,5-13H2,1-4H3
InChIKeyXAYYUGKZGARCSO-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-diethyl-1-N-(2-methoxyethyl)cyclohexane-1,3-diamine
CID 79618929
3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine
CID 79618497
1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
CID 79618717
3-N-cyclopentyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79644118
1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine
CID 107869628
1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine
CID 79630666
3-N-cyclohexyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79642460
1-N-ethyl-1-N-(2-methoxyethyl)-3-N-propylcyclohexane-1,3-diamine
CID 79618820
1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine
CID 79619259
4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 114763130
N,N-dipropylcyclodecanamine
CID 139723962
3-N-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine
CID 79617842

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine (CID 79618827) is 1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine is CCCN(CCN(C)C)C1CCCC(NCC)C1.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine?
The InChIKey is XAYYUGKZGARCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-10-18(12-11-17(3)4)15-9-7-8-14(13-15)16-6-2/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine?
1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine is sourced from PubChem (CID 79618827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).