N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine

C15H24N2 — CID 114108419

IUPACN'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine
SMILESCCC1CC1NCCCC(N)c1ccccc1
InChIInChI=1S/C15H24N2/c1-2-12-11-15(12)17-10-6-9-14(16)13-7-4-3-5-8-13/h3-5,7-8,12,14-15,17H,2,6,9-11,16H2,1H3
InChIKeyHJHSWQZXWRSPLK-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.85
Rot. Bonds7

About N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine

N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine (PubChem CID 114108419) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine
PubChem CID114108419
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine
SMILESCCC1CC1NCCCC(N)c1ccccc1
InChIInChI=1S/C15H24N2/c1-2-12-11-15(12)17-10-6-9-14(16)13-7-4-3-5-8-13/h3-5,7-8,12,14-15,17H,2,6,9-11,16H2,1H3
InChIKeyHJHSWQZXWRSPLK-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopentyl-1-phenylbutane-1,4-diamine
CID 63321714
1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine
CID 79351012
3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine
CID 64502784
1-phenyldecan-1-amine
CID 43175860
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
N'-benzyl-1-phenylbutane-1,4-diamine
CID 55204537
N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine
CID 114547321
chloromethane;1-phenyltridecan-1-amine
CID 175245788
2-(2-ethylcyclohexyl)-1-phenylethanamine
CID 81013913
2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine
CID 113483440
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine
CID 63859842

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine?
The IUPAC name of N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine (CID 114108419) is N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine.
What is the SMILES notation for N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine?
The canonical SMILES for N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine is CCC1CC1NCCCC(N)c1ccccc1.
What is the InChIKey of N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine?
The InChIKey is HJHSWQZXWRSPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-12-11-15(12)17-10-6-9-14(16)13-7-4-3-5-8-13/h3-5,7-8,12,14-15,17H,2,6,9-11,16H2,1H3.
What are the key properties of N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine?
N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine is sourced from PubChem (CID 114108419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).