N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine

C18H30N2 — CID 105347923

IUPACN-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine
SMILESCC(C)NCCc1ccc(CCCCNC2CC2)cc1
InChIInChI=1S/C18H30N2/c1-15(2)19-14-12-17-8-6-16(7-9-17)5-3-4-13-20-18-10-11-18/h6-9,15,18-20H,3-5,10-14H2,1-2H3
InChIKeyMNEPBEXERGQYST-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.30
Rot. Bonds10

About N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine

N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine (PubChem CID 105347923) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine
PubChem CID105347923
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine
SMILESCC(C)NCCc1ccc(CCCCNC2CC2)cc1
InChIInChI=1S/C18H30N2/c1-15(2)19-14-12-17-8-6-16(7-9-17)5-3-4-13-20-18-10-11-18/h6-9,15,18-20H,3-5,10-14H2,1-2H3
InChIKeyMNEPBEXERGQYST-UHFFFAOYSA-N
XLogP3.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.30
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-[4-(4-iodophenyl)butyl]cyclopropanamine
CID 65489763
N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
CID 65301069
N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine
CID 66258837
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
4-(4-butylphenyl)-N-propan-2-ylbutan-1-amine
CID 65305422
6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine
CID 98014943
N-[2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105346897
N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
CID 69171218
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine
CID 65305501
N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine (CID 105347923) is N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine is CC(C)NCCc1ccc(CCCCNC2CC2)cc1.
What is the InChIKey of N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine?
The InChIKey is MNEPBEXERGQYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)19-14-12-17-8-6-16(7-9-17)5-3-4-13-20-18-10-11-18/h6-9,15,18-20H,3-5,10-14H2,1-2H3.
What are the key properties of N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine?
N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine has a molecular weight of 274.45 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine is sourced from PubChem (CID 105347923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).