1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine

C16H28N2 — CID 55098115

IUPAC1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CCC(N)c1ccccc1C
InChIInChI=1S/C16H28N2/c1-4-11-18(12-5-2)13-10-16(17)15-9-7-6-8-14(15)3/h6-9,16H,4-5,10-13,17H2,1-3H3
InChIKeyQTINEYGAQHWXAM-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.51
Rot. Bonds8

About 1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine

1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine (PubChem CID 55098115) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine
PubChem CID55098115
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CCC(N)c1ccccc1C
InChIInChI=1S/C16H28N2/c1-4-11-18(12-5-2)13-10-16(17)15-9-7-6-8-14(15)3/h6-9,16H,4-5,10-13,17H2,1-3H3
InChIKeyQTINEYGAQHWXAM-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butyl-N'-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 55098165
N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 55098071
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine
CID 62628932
1-(2-methylphenyl)nonan-1-amine
CID 63412316
N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine
CID 62623076
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine
CID 65488249
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
CID 171229467
1-(2-methylphenyl)hex-4-yn-1-amine
CID 104804509
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63483080

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine?
The IUPAC name of 1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine (CID 55098115) is 1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine?
The canonical SMILES for 1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine is CCCN(CCC)CCC(N)c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine?
The InChIKey is QTINEYGAQHWXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-11-18(12-5-2)13-10-16(17)15-9-7-6-8-14(15)3/h6-9,16H,4-5,10-13,17H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine?
1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 55098115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).