N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine

C17H30N2 — CID 43273668

IUPACN'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(C(N)CN(CC)CC(C)C)cc1
InChIInChI=1S/C17H30N2/c1-5-7-15-8-10-16(11-9-15)17(18)13-19(6-2)12-14(3)4/h8-11,14,17H,5-7,12-13,18H2,1-4H3
InChIKeyCQDIHTIFZOTZFI-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.62
Rot. Bonds8

About N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine

N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine (PubChem CID 43273668) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine
PubChem CID43273668
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(C(N)CN(CC)CC(C)C)cc1
InChIInChI=1S/C17H30N2/c1-5-7-15-8-10-16(11-9-15)17(18)13-19(6-2)12-14(3)4/h8-11,14,17H,5-7,12-13,18H2,1-4H3
InChIKeyCQDIHTIFZOTZFI-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43273657
N'-methyl-N'-(2-methylbutyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43295696
N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43569993
N'-propan-2-yl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43269507
N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43264141
N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43105672
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 61451468
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
1-(4-ethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 43094884
N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43541052
1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol
CID 43273373
N'-cyclopropyl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43270345

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine (CID 43273668) is N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine is CCCc1ccc(C(N)CN(CC)CC(C)C)cc1.
What is the InChIKey of N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine?
The InChIKey is CQDIHTIFZOTZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-7-15-8-10-16(11-9-15)17(18)13-19(6-2)12-14(3)4/h8-11,14,17H,5-7,12-13,18H2,1-4H3.
What are the key properties of N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine?
N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43273668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).