N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine

C15H26N2 — CID 116950451

IUPACN-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(C(CNC(C)C)NC)cc1
InChIInChI=1S/C15H26N2/c1-5-6-13-7-9-14(10-8-13)15(16-4)11-17-12(2)3/h7-10,12,15-17H,5-6,11H2,1-4H3
InChIKeyDGDDJEHHSCRGJU-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.90
Rot. Bonds7

About N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine

N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine (PubChem CID 116950451) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine
PubChem CID116950451
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(C(CNC(C)C)NC)cc1
InChIInChI=1S/C15H26N2/c1-5-6-13-7-9-14(10-8-13)15(16-4)11-17-12(2)3/h7-10,12,15-17H,5-6,11H2,1-4H3
InChIKeyDGDDJEHHSCRGJU-UHFFFAOYSA-N
XLogP2.90
TPSA24.06 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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine
CID 64663722
N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine
CID 116950082
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
N-methyl-3-(4-propylphenyl)butan-2-amine
CID 66438296
2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol
CID 113374023
N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine
CID 55198846
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 63469443
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650012
1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one
CID 62880658

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine (CID 116950451) is N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine is CCCc1ccc(C(CNC(C)C)NC)cc1.
What is the InChIKey of N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine?
The InChIKey is DGDDJEHHSCRGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-6-13-7-9-14(10-8-13)15(16-4)11-17-12(2)3/h7-10,12,15-17H,5-6,11H2,1-4H3.
What are the key properties of N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine?
N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 116950451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).