1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine

C16H28N2 — CID 62039915

IUPAC1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
SMILESCCCNC(CC)CN(C)Cc1ccccc1C
InChIInChI=1S/C16H28N2/c1-5-11-17-16(6-2)13-18(4)12-15-10-8-7-9-14(15)3/h7-10,16-17H,5-6,11-13H2,1-4H3
InChIKeyKLPKTZWQZSCLRY-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.21
Rot. Bonds8

About 1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine

1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine (PubChem CID 62039915) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
PubChem CID62039915
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
SMILESCCCNC(CC)CN(C)Cc1ccccc1C
InChIInChI=1S/C16H28N2/c1-5-11-17-16(6-2)13-18(4)12-15-10-8-7-9-14(15)3/h7-10,16-17H,5-6,11-13H2,1-4H3
InChIKeyKLPKTZWQZSCLRY-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 65233412
N-[2-(2-methylphenyl)ethyl]heptan-4-amine
CID 79762422
2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115665625
1-N-[(4-methoxyphenyl)methyl]-1-N-methyl-2-N-propylbutane-1,2-diamine
CID 62040558
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62038846
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378
1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine
CID 62040818
3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 63528106
2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115120751
1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 61412120

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine (CID 62039915) is 1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine is CCCNC(CC)CN(C)Cc1ccccc1C.
What is the InChIKey of 1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine?
The InChIKey is KLPKTZWQZSCLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-11-17-16(6-2)13-18(4)12-15-10-8-7-9-14(15)3/h7-10,16-17H,5-6,11-13H2,1-4H3.
What are the key properties of 1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine?
1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62039915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).