1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine

C16H34N2 — CID 63466762

IUPAC1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
SMILESCCCCN(CC)C1CCCCCC1NCCC
InChIInChI=1S/C16H34N2/c1-4-7-14-18(6-3)16-12-10-8-9-11-15(16)17-13-5-2/h15-17H,4-14H2,1-3H3
InChIKeyOCBQPRFNEZJNCD-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds8

About 1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine

1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine (PubChem CID 63466762) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
PubChem CID63466762
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
SMILESCCCCN(CC)C1CCCCCC1NCCC
InChIInChI=1S/C16H34N2/c1-4-7-14-18(6-3)16-12-10-8-9-11-15(16)17-13-5-2/h15-17H,4-14H2,1-3H3
InChIKeyOCBQPRFNEZJNCD-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 102992452
2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466576
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 63696132
1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine
CID 63467595
2-N-ethyl-2-N-(2-methylpropyl)-1-N-propylcyclooctane-1,2-diamine
CID 63467359
2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 107397961
1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine
CID 63469786
2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
CID 55194189
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 55228107
2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616700
1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine
CID 62985177
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine?
The IUPAC name of 1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine (CID 63466762) is 1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine?
The canonical SMILES for 1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine is CCCCN(CC)C1CCCCCC1NCCC.
What is the InChIKey of 1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine?
The InChIKey is OCBQPRFNEZJNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-7-14-18(6-3)16-12-10-8-9-11-15(16)17-13-5-2/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine?
1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine is sourced from PubChem (CID 63466762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).