N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine

C16H26N2 — CID 62555539

IUPACN'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNc1ccc(C)cc1)CC1CC1
InChIInChI=1S/C16H26N2/c1-3-11-18(13-15-6-7-15)12-10-17-16-8-4-14(2)5-9-16/h4-5,8-9,15,17H,3,6-7,10-13H2,1-2H3
InChIKeyJOFRZFQLBWWAEW-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.53
Rot. Bonds8

About N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine

N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine (PubChem CID 62555539) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine
PubChem CID62555539
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNc1ccc(C)cc1)CC1CC1
InChIInChI=1S/C16H26N2/c1-3-11-18(13-15-6-7-15)12-10-17-16-8-4-14(2)5-9-16/h4-5,8-9,15,17H,3,6-7,10-13H2,1-2H3
InChIKeyJOFRZFQLBWWAEW-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine (CID 62555539) is N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine is CCCN(CCNc1ccc(C)cc1)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine?
The InChIKey is JOFRZFQLBWWAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-11-18(13-15-6-7-15)12-10-17-16-8-4-14(2)5-9-16/h4-5,8-9,15,17H,3,6-7,10-13H2,1-2H3.
What are the key properties of N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine?
N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62555539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).