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

C16H26N2 — CID 43264141

IUPACN'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(C(N)CN(CC)C2CC2)cc1
InChIInChI=1S/C16H26N2/c1-3-5-13-6-8-14(9-7-13)16(17)12-18(4-2)15-10-11-15/h6-9,15-16H,3-5,10-12,17H2,1-2H3
InChIKeyGJDUYEFHUUHZPM-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds7

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

N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine (PubChem CID 43264141) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
PubChem CID43264141
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCc1ccc(C(N)CN(CC)C2CC2)cc1
InChIInChI=1S/C16H26N2/c1-3-5-13-6-8-14(9-7-13)16(17)12-18(4-2)15-10-11-15/h6-9,15-16H,3-5,10-12,17H2,1-2H3
InChIKeyGJDUYEFHUUHZPM-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43541052
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
N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 61441578
N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43108213
1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61437159
N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43541063
1-(1,3-benzodioxol-5-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 43264160
N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43273668
N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
CID 107519650
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

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine (CID 43264141) is N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine is CCCc1ccc(C(N)CN(CC)C2CC2)cc1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine?
The InChIKey is GJDUYEFHUUHZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-5-13-6-8-14(9-7-13)16(17)12-18(4-2)15-10-11-15/h6-9,15-16H,3-5,10-12,17H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43264141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).