1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine

C15H26N2 — CID 43269372

IUPAC1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
SMILESCCCN(C(C)C)C(CN)c1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-5-9-17(12(2)3)15(11-16)14-8-6-7-13(4)10-14/h6-8,10,12,15H,5,9,11,16H2,1-4H3
InChIKeyQQHVORPLSCSLTM-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.12
Rot. Bonds6

About 1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine

1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine (PubChem CID 43269372) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
PubChem CID43269372
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
SMILESCCCN(C(C)C)C(CN)c1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-5-9-17(12(2)3)15(11-16)14-8-6-7-13(4)10-14/h6-8,10,12,15H,5,9,11,16H2,1-4H3
InChIKeyQQHVORPLSCSLTM-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269395
N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 43272724
1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 63473286
1-(3-bromo-4-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269361
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265571
1-(3,5-dimethoxyphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269422
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 60869172
3-[[2-amino-1-(3-fluorophenyl)ethyl]-propan-2-ylamino]propanenitrile
CID 55020201
N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
CID 116905510
1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 62136494
N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 43265559

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine (CID 43269372) is 1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine is CCCN(C(C)C)C(CN)c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The InChIKey is QQHVORPLSCSLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-9-17(12(2)3)15(11-16)14-8-6-7-13(4)10-14/h6-8,10,12,15H,5,9,11,16H2,1-4H3.
What are the key properties of 1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine is sourced from PubChem (CID 43269372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).