N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine

C15H32N2 — CID 62575467

IUPACN'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine
SMILESCCCCN(CC)CCNC1CCCCCC1
InChIInChI=1S/C15H32N2/c1-3-5-13-17(4-2)14-12-16-15-10-8-6-7-9-11-15/h15-16H,3-14H2,1-2H3
InChIKeyKMNVUFMAATUVJE-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds8

About N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine

N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine (PubChem CID 62575467) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine
PubChem CID62575467
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine
SMILESCCCCN(CC)CCNC1CCCCCC1
InChIInChI=1S/C15H32N2/c1-3-5-13-17(4-2)14-12-16-15-10-8-6-7-9-11-15/h15-16H,3-14H2,1-2H3
InChIKeyKMNVUFMAATUVJE-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine
CID 55087820
N-cycloheptyl-N'-(2-ethoxyethyl)-N'-ethylethane-1,2-diamine
CID 63690919
N'-(cyclobutylmethyl)-N-cyclohexyl-N'-ethylethane-1,2-diamine
CID 107402209
N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
CID 60867670
N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine
CID 62574766
N-dodecylcyclohexanamine
CID 3679395
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55085372
2-[3-(cyclopropylamino)propyl-ethylamino]ethanol
CID 61387148
N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
azane;N-propylcyclohexanamine
CID 19368218

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine (CID 62575467) is N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine is CCCCN(CC)CCNC1CCCCCC1.
What is the InChIKey of N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine?
The InChIKey is KMNVUFMAATUVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-3-5-13-17(4-2)14-12-16-15-10-8-6-7-9-11-15/h15-16H,3-14H2,1-2H3.
What are the key properties of N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine?
N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 62575467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).