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

C19H32N2 — CID 81022991

IUPACN-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC1(C)CCC(CNC(C)(C)C)C(Cc2ccccn2)C1
InChIInChI=1S/C19H32N2/c1-18(2,3)21-14-15-9-10-19(4,5)13-16(15)12-17-8-6-7-11-20-17/h6-8,11,15-16,21H,9-10,12-14H2,1-5H3
InChIKeySROFTEPWFCOMNG-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.45
Rot. Bonds4

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

N-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81022991) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81022991
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC1(C)CCC(CNC(C)(C)C)C(Cc2ccccn2)C1
InChIInChI=1S/C19H32N2/c1-18(2,3)21-14-15-9-10-19(4,5)13-16(15)12-17-8-6-7-11-20-17/h6-8,11,15-16,21H,9-10,12-14H2,1-5H3
InChIKeySROFTEPWFCOMNG-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023531
N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030814
N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81031185
2-methyl-N-[(2-pyridin-2-ylcyclopropyl)methyl]propan-2-amine
CID 62712988
N-[[2-[(2-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81023259
N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 81027779
2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580597
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 104813864
2-methyl-N-[[2-(pyridin-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81028060
2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine
CID 58318500
N-[[2-[(2-bromophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81022470
N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022215

Frequently Asked Questions

What is the IUPAC name of N-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 81022991) is N-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine is CC1(C)CCC(CNC(C)(C)C)C(Cc2ccccn2)C1.
What is the InChIKey of N-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SROFTEPWFCOMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-18(2,3)21-14-15-9-10-19(4,5)13-16(15)12-17-8-6-7-11-20-17/h6-8,11,15-16,21H,9-10,12-14H2,1-5H3.
What are the key properties of N-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.45, 4 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-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81022991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).