2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine

C15H26N2 — CID 115198696

IUPAC2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine
SMILESCC(CN)CNCCc1ccc(C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-12(2)15-6-4-14(5-7-15)8-9-17-11-13(3)10-16/h4-7,12-13,17H,8-11,16H2,1-3H3
InChIKeyNQRQTRSFXWJLQK-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.54
Rot. Bonds7

About 2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine

2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine (PubChem CID 115198696) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine
PubChem CID115198696
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine
SMILESCC(CN)CNCCc1ccc(C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-12(2)15-6-4-14(5-7-15)8-9-17-11-13(3)10-16/h4-7,12-13,17H,8-11,16H2,1-3H3
InChIKeyNQRQTRSFXWJLQK-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115261061
2-methyl-N'-[2-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 115198795
2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 115260058
N-[2-(4-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202719
1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one
CID 115234952
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine
CID 114200118
2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine
CID 115202512
N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198805
6-[2-[(3-amino-2-methylpropyl)amino]ethyl]-3H-1,3-benzoxazol-2-one
CID 115198782
N-[2-(4-butan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 82262124
2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine
CID 22955490
N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202766

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine (CID 115198696) is 2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine is CC(CN)CNCCc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine?
The InChIKey is NQRQTRSFXWJLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)15-6-4-14(5-7-15)8-9-17-11-13(3)10-16/h4-7,12-13,17H,8-11,16H2,1-3H3.
What are the key properties of 2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine?
2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 115198696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).