N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine

C14H30N2 — CID 62574766

IUPACN-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine
SMILESCCCCCN(C)CCNC1CCCCC1
InChIInChI=1S/C14H30N2/c1-3-4-8-12-16(2)13-11-15-14-9-6-5-7-10-14/h14-15H,3-13H2,1-2H3
InChIKeyFQMKAIKLSOHCKD-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds8

About N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine

N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine (PubChem CID 62574766) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine
PubChem CID62574766
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine
SMILESCCCCCN(C)CCNC1CCCCC1
InChIInChI=1S/C14H30N2/c1-3-4-8-12-16(2)13-11-15-14-9-6-5-7-10-14/h14-15H,3-13H2,1-2H3
InChIKeyFQMKAIKLSOHCKD-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
CID 62420379
N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55085372
N-dodecylcyclohexanamine
CID 3679395
N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine
CID 62575467
N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine
CID 63726529
N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 62561686
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208971
N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104563816
N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine
CID 55087820
N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine
CID 159993444

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine (CID 62574766) is N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine is CCCCCN(C)CCNC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine?
The InChIKey is FQMKAIKLSOHCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-4-8-12-16(2)13-11-15-14-9-6-5-7-10-14/h14-15H,3-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine?
N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine is sourced from PubChem (CID 62574766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).