N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine

C18H30N2 — CID 106661666

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCc1ccccc1CN(C)C
InChIInChI=1S/C18H30N2/c1-14-10-18(2,3)11-17(14)19-12-15-8-6-7-9-16(15)13-20(4)5/h6-9,14,17,19H,10-13H2,1-5H3
InChIKeyBPRFFLWMTRVCLL-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.66
Rot. Bonds5

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106661666) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106661666
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCc1ccccc1CN(C)C
InChIInChI=1S/C18H30N2/c1-14-10-18(2,3)11-17(14)19-12-15-8-6-7-9-16(15)13-20(4)5/h6-9,14,17,19H,10-13H2,1-5H3
InChIKeyBPRFFLWMTRVCLL-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine (CID 106661666) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine is CC1CC(C)(C)CC1NCc1ccccc1CN(C)C.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is BPRFFLWMTRVCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-10-18(2,3)11-17(14)19-12-15-8-6-7-9-16(15)13-20(4)5/h6-9,14,17,19H,10-13H2,1-5H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106661666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).