N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine

C17H28N2 — CID 61440981

IUPACN'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC1CC1)CC(N)c1ccc(CC)cc1
InChIInChI=1S/C17H28N2/c1-3-11-19(12-15-5-6-15)13-17(18)16-9-7-14(4-2)8-10-16/h7-10,15,17H,3-6,11-13,18H2,1-2H3
InChIKeyDZGTZTJOASMARR-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.37
Rot. Bonds8

About N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine

N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine (PubChem CID 61440981) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine
PubChem CID61440981
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC1CC1)CC(N)c1ccc(CC)cc1
InChIInChI=1S/C17H28N2/c1-3-11-19(12-15-5-6-15)13-17(18)16-9-7-14(4-2)8-10-16/h7-10,15,17H,3-6,11-13,18H2,1-2H3
InChIKeyDZGTZTJOASMARR-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 43094884
1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 63467781
(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
CID 171230824
1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
CID 55055537
N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 61441578
1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61437159
N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61434447
2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
CID 110883262
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine
CID 62643649
N'-cyclopropyl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43270345
N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62431123

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine (CID 61440981) is N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine is CCCN(CC1CC1)CC(N)c1ccc(CC)cc1.
What is the InChIKey of N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine?
The InChIKey is DZGTZTJOASMARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-11-19(12-15-5-6-15)13-17(18)16-9-7-14(4-2)8-10-16/h7-10,15,17H,3-6,11-13,18H2,1-2H3.
What are the key properties of N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine?
N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 61440981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).