N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine

C19H32N2 — CID 80679484

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCN(CC)Cc1ccc(CNC2CCC(C)(C)C2)cc1
InChIInChI=1S/C19H32N2/c1-5-21(6-2)15-17-9-7-16(8-10-17)14-20-18-11-12-19(3,4)13-18/h7-10,18,20H,5-6,11-15H2,1-4H3
InChIKeyOQBCMDFRQUEYGG-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.20
Rot. Bonds7

About N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine

N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 80679484) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID80679484
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCN(CC)Cc1ccc(CNC2CCC(C)(C)C2)cc1
InChIInChI=1S/C19H32N2/c1-5-21(6-2)15-17-9-7-16(8-10-17)14-20-18-11-12-19(3,4)13-18/h7-10,18,20H,5-6,11-15H2,1-4H3
InChIKeyOQBCMDFRQUEYGG-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine
CID 43608548
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 28680147
N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421784
N-[[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62420492
4-[[(3,3-dimethylcyclopentyl)amino]methyl]-2-fluoroaniline
CID 114547589
N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544151
N'-[[4-[(cyclopropylamino)methyl]phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997477
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 114547417
N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881484
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine
CID 65083512
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62461060

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine (CID 80679484) is N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine is CCN(CC)Cc1ccc(CNC2CCC(C)(C)C2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is OQBCMDFRQUEYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-21(6-2)15-17-9-7-16(8-10-17)14-20-18-11-12-19(3,4)13-18/h7-10,18,20H,5-6,11-15H2,1-4H3.
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine?
N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80679484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).