N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine

C18H28N2 — CID 62422304

IUPACN-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine
SMILESCCN(Cc1cccc(CNC2CC2)c1)C1CCCC1
InChIInChI=1S/C18H28N2/c1-2-20(18-8-3-4-9-18)14-16-7-5-6-15(12-16)13-19-17-10-11-17/h5-7,12,17-19H,2-4,8-11,13-14H2,1H3
InChIKeyRCMUFUIUCNTECJ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.70
Rot. Bonds7

About N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine

N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine (PubChem CID 62422304) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine.

Molecular Properties

Compound NameN-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine
PubChem CID62422304
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine
SMILESCCN(Cc1cccc(CNC2CC2)c1)C1CCCC1
InChIInChI=1S/C18H28N2/c1-2-20(18-8-3-4-9-18)14-16-7-5-6-15(12-16)13-19-17-10-11-17/h5-7,12,17-19H,2-4,8-11,13-14H2,1H3
InChIKeyRCMUFUIUCNTECJ-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421837
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62430584
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethylcyclopentanamine
CID 62422317
N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63965008
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62413208
N-[(3-iodophenyl)methyl]cyclopropanamine
CID 21107262
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
3-[3-[[cyclopentyl(ethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76908588
[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]methanol
CID 110008184
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine?
The IUPAC name of N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine (CID 62422304) is N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine.
What is the SMILES notation for N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine?
The canonical SMILES for N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine is CCN(Cc1cccc(CNC2CC2)c1)C1CCCC1.
What is the InChIKey of N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine?
The InChIKey is RCMUFUIUCNTECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-20(18-8-3-4-9-18)14-16-7-5-6-15(12-16)13-19-17-10-11-17/h5-7,12,17-19H,2-4,8-11,13-14H2,1H3.
What are the key properties of N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine?
N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine has a molecular weight of 272.44 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine is sourced from PubChem (CID 62422304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).