N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine

C17H36N2 — CID 63504271

IUPACN-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(CCNCC1CCCCC1)C(C)C
InChIInChI=1S/C17H36N2/c1-4-5-9-13-19(16(2)3)14-12-18-15-17-10-7-6-8-11-17/h16-18H,4-15H2,1-3H3
InChIKeyYLXROIZHOWMZDH-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds10

About N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine

N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 63504271) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID63504271
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(CCNCC1CCCCC1)C(C)C
InChIInChI=1S/C17H36N2/c1-4-5-9-13-19(16(2)3)14-12-18-15-17-10-7-6-8-11-17/h16-18H,4-15H2,1-3H3
InChIKeyYLXROIZHOWMZDH-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
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-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 60867853
N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55085372
N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 62561686
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737
N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
CID 60867492
N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine
CID 63503881
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581253
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine
CID 55194759
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine (CID 63504271) is N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine is CCCCCN(CCNCC1CCCCC1)C(C)C.
What is the InChIKey of N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is YLXROIZHOWMZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-5-9-13-19(16(2)3)14-12-18-15-17-10-7-6-8-11-17/h16-18H,4-15H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine?
N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 63504271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).