N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine

C19H32N2 — CID 81022215

IUPACN-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(C)(C)CC1Cc1ccncc1
InChIInChI=1S/C19H32N2/c1-15(2)13-21-14-17-5-8-19(3,4)12-18(17)11-16-6-9-20-10-7-16/h6-7,9-10,15,17-18,21H,5,8,11-14H2,1-4H3
InChIKeyBWECOLABNLITSH-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.31
Rot. Bonds6

About N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81022215) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81022215
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(C)(C)CC1Cc1ccncc1
InChIInChI=1S/C19H32N2/c1-15(2)13-21-14-17-5-8-19(3,4)12-18(17)11-16-6-9-20-10-7-16/h6-7,9-10,15,17-18,21H,5,8,11-14H2,1-4H3
InChIKeyBWECOLABNLITSH-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 81022215) is N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCC(C)(C)CC1Cc1ccncc1.
What is the InChIKey of N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BWECOLABNLITSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)13-21-14-17-5-8-19(3,4)12-18(17)11-16-6-9-20-10-7-16/h6-7,9-10,15,17-18,21H,5,8,11-14H2,1-4H3.
What are the key properties of N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81022215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).