N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine

C19H32N2 — CID 107398055

IUPACN'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC)CC1CCC1)c1ccccc1C
InChIInChI=1S/C19H32N2/c1-4-13-20-19(18-12-7-6-9-16(18)3)15-21(5-2)14-17-10-8-11-17/h6-7,9,12,17,19-20H,4-5,8,10-11,13-15H2,1-3H3
InChIKeyNYWUOZVWJIVJKX-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.16
Rot. Bonds9

About N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine

N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine (PubChem CID 107398055) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine
PubChem CID107398055
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC)CC1CCC1)c1ccccc1C
InChIInChI=1S/C19H32N2/c1-4-13-20-19(18-12-7-6-9-16(18)3)15-21(5-2)14-17-10-8-11-17/h6-7,9,12,17,19-20H,4-5,8,10-11,13-15H2,1-3H3
InChIKeyNYWUOZVWJIVJKX-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63955974
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63483080
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine
CID 63464856
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63493766
N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64675083
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
CID 63631236

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine (CID 107398055) is N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine is CCCNC(CN(CC)CC1CCC1)c1ccccc1C.
What is the InChIKey of N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine?
The InChIKey is NYWUOZVWJIVJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-13-20-19(18-12-7-6-9-16(18)3)15-21(5-2)14-17-10-8-11-17/h6-7,9,12,17,19-20H,4-5,8,10-11,13-15H2,1-3H3.
What are the key properties of N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine?
N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 107398055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).