N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine

C19H30N2 — CID 107402138

IUPACN-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCCN(Cc1ccc(CCNC2CC2)cc1)CC1CCC1
InChIInChI=1S/C19H30N2/c1-2-21(14-17-4-3-5-17)15-18-8-6-16(7-9-18)12-13-20-19-10-11-19/h6-9,17,19-20H,2-5,10-15H2,1H3
InChIKeyUMSMKRFIACFOES-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.60
Rot. Bonds9

About N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine

N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 107402138) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
PubChem CID107402138
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCCN(Cc1ccc(CCNC2CC2)cc1)CC1CCC1
InChIInChI=1S/C19H30N2/c1-2-21(14-17-4-3-5-17)15-18-8-6-16(7-9-18)12-13-20-19-10-11-19/h6-9,17,19-20H,2-5,10-15H2,1H3
InChIKeyUMSMKRFIACFOES-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347778
N-[[3-[[cyclobutylmethyl(ethyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107455919
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 107402187
N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cycloheptyl]methyl]cyclopropanamine
CID 107401601
N'-(cyclobutylmethyl)-N-cyclohexyl-N'-ethylethane-1,2-diamine
CID 107402209
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63939704
(E)-3-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 107400862
4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile
CID 63957000
4-[2-[(4-ethylcyclohexyl)amino]ethyl]phenol
CID 61238876

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine (CID 107402138) is N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine is CCN(Cc1ccc(CCNC2CC2)cc1)CC1CCC1.
What is the InChIKey of N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is UMSMKRFIACFOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-21(14-17-4-3-5-17)15-18-8-6-16(7-9-18)12-13-20-19-10-11-19/h6-9,17,19-20H,2-5,10-15H2,1H3.
What are the key properties of N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 286.46 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-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 107402138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).