N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine

C17H30N2 — CID 43569993

IUPACN'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(C(N)CN(C)C(C)C(C)C)cc1
InChIInChI=1S/C17H30N2/c1-6-7-15-8-10-16(11-9-15)17(18)12-19(5)14(4)13(2)3/h8-11,13-14,17H,6-7,12,18H2,1-5H3
InChIKeyIWYOIKALRCFABW-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.62
Rot. Bonds7

About N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine

N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine (PubChem CID 43569993) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine
PubChem CID43569993
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(C(N)CN(C)C(C)C(C)C)cc1
InChIInChI=1S/C17H30N2/c1-6-7-15-8-10-16(11-9-15)17(18)12-19(5)14(4)13(2)3/h8-11,13-14,17H,6-7,12,18H2,1-5H3
InChIKeyIWYOIKALRCFABW-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 61451468
N'-methyl-N'-(2-methylbutyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43295696
N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43105672
N'-propan-2-yl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43269507
N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43273668
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
N'-cyclopropyl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43270345
N'-cyclohexyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43099891
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43264141
2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79054269
1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 43570965

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine (CID 43569993) is N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine is CCCc1ccc(C(N)CN(C)C(C)C(C)C)cc1.
What is the InChIKey of N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine?
The InChIKey is IWYOIKALRCFABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-7-15-8-10-16(11-9-15)17(18)12-19(5)14(4)13(2)3/h8-11,13-14,17H,6-7,12,18H2,1-5H3.
What are the key properties of N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine?
N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43569993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).