N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline

C18H30N2 — CID 63630568

IUPACN-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1ccc(N(C)CC2CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-15(2)12-19-13-16-8-10-18(11-9-16)20(3)14-17-6-4-5-7-17/h8-11,15,17,19H,4-7,12-14H2,1-3H3
InChIKeyFIMCEQYBINQJBL-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.06
Rot. Bonds7

About N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline

N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline (PubChem CID 63630568) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
PubChem CID63630568
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1ccc(N(C)CC2CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-15(2)12-19-13-16-8-10-18(11-9-16)20(3)14-17-6-4-5-7-17/h8-11,15,17,19H,4-7,12-14H2,1-3H3
InChIKeyFIMCEQYBINQJBL-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline (CID 63630568) is N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline is CC(C)CNCc1ccc(N(C)CC2CCCC2)cc1.
What is the InChIKey of N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
The InChIKey is FIMCEQYBINQJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)12-19-13-16-8-10-18(11-9-16)20(3)14-17-6-4-5-7-17/h8-11,15,17,19H,4-7,12-14H2,1-3H3.
What are the key properties of N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63630568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).