2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine

C16H32N2 — CID 107397961

IUPAC2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCCCC1N(CC)CC1CCC1
InChIInChI=1S/C16H32N2/c1-3-12-17-15-10-5-6-11-16(15)18(4-2)13-14-8-7-9-14/h14-17H,3-13H2,1-2H3
InChIKeyJPPAGFPFOJHQAX-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds7

About 2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine

2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 107397961) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
PubChem CID107397961
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCCCC1N(CC)CC1CCC1
InChIInChI=1S/C16H32N2/c1-3-12-17-15-10-5-6-11-16(15)18(4-2)13-14-8-7-9-14/h14-17H,3-13H2,1-2H3
InChIKeyJPPAGFPFOJHQAX-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(cyclobutylmethyl)-1-N-ethyl-3,3-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 107398176
1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
CID 63466762
2-N-ethyl-2-N-(2-methylpropyl)-1-N-propylcyclooctane-1,2-diamine
CID 63467359
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine
CID 63468526
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 102992452
2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine
CID 55194190
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 63696132
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 55228107
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 103188428
4-[[cyclopentyl(ethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66254473
2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
CID 55194189

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine (CID 107397961) is 2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine is CCCNC1CCCCC1N(CC)CC1CCC1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is JPPAGFPFOJHQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-12-17-15-10-5-6-11-16(15)18(4-2)13-14-8-7-9-14/h14-17H,3-13H2,1-2H3.
What are the key properties of 2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine?
2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 107397961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).