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

C17H28N2 — CID 103780383

IUPACN'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine
SMILESCCCC(NCCN(CC)C1CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-8-17(15-9-6-5-7-10-15)18-13-14-19(4-2)16-11-12-16/h5-7,9-10,16-18H,3-4,8,11-14H2,1-2H3
InChIKeyQELQSPUFRAMMSY-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds9

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

N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine (PubChem CID 103780383) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine
PubChem CID103780383
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine
SMILESCCCC(NCCN(CC)C1CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-8-17(15-9-6-5-7-10-15)18-13-14-19(4-2)16-11-12-16/h5-7,9-10,16-18H,3-4,8,11-14H2,1-2H3
InChIKeyQELQSPUFRAMMSY-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine
CID 63824425
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine
CID 62612456
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 62844460
N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 103780486
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine
CID 62977565

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine (CID 103780383) is N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine is CCCC(NCCN(CC)C1CC1)c1ccccc1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine?
The InChIKey is QELQSPUFRAMMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-8-17(15-9-6-5-7-10-15)18-13-14-19(4-2)16-11-12-16/h5-7,9-10,16-18H,3-4,8,11-14H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 103780383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).