N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine

C16H28N2 — CID 62636093

IUPACN'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)C(NCCN(C)C(C)C)c1ccccc1
InChIInChI=1S/C16H28N2/c1-13(2)16(15-9-7-6-8-10-15)17-11-12-18(5)14(3)4/h6-10,13-14,16-17H,11-12H2,1-5H3
InChIKeyNAACYXONHUNYRR-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.31
Rot. Bonds7

About N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine

N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62636093) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID62636093
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)C(NCCN(C)C(C)C)c1ccccc1
InChIInChI=1S/C16H28N2/c1-13(2)16(15-9-7-6-8-10-15)17-11-12-18(5)14(3)4/h6-10,13-14,16-17H,11-12H2,1-5H3
InChIKeyNAACYXONHUNYRR-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62636240
N'-(2-methoxyethyl)-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62843081
(1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 93043964
2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine
CID 60697107
methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
CID 61014241
2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol
CID 62642687
N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 102977075
2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine
CID 63467773
2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 62640904

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine (CID 62636093) is N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)C(NCCN(C)C(C)C)c1ccccc1.
What is the InChIKey of N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is NAACYXONHUNYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13(2)16(15-9-7-6-8-10-15)17-11-12-18(5)14(3)4/h6-10,13-14,16-17H,11-12H2,1-5H3.
What are the key properties of N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine?
N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62636093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).