1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine

C18H37N3 — CID 115999034

IUPAC1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2(CN)CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C18H37N3/c1-16(2)11-17(3,4)13-18(12-16,14-19)21-9-7-15(8-10-21)20(5)6/h15H,7-14,19H2,1-6H3
InChIKeyZIFOUMYURVXZKO-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.95
Rot. Bonds3

About 1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine

1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 115999034) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine
PubChem CID115999034
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2(CN)CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C18H37N3/c1-16(2)11-17(3,4)13-18(12-16,14-19)21-9-7-15(8-10-21)20(5)6/h15H,7-14,19H2,1-6H3
InChIKeyZIFOUMYURVXZKO-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclopentyl]-N,N-dimethylpiperidin-4-amine
CID 43585861
1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine
CID 43608746
1-[1-(aminomethyl)-3-ethylcyclopentyl]-N,N-dimethylpiperidin-4-amine
CID 64501374
[3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
CID 112682338
1-[4-(aminomethyl)-1-propan-2-ylazepan-4-yl]-N,N-dimethylpiperidin-4-amine
CID 65078068
[3,3,5,5-tetramethyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 112682303
1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine
CID 60797130
1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 115999095
[1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine
CID 115999117
1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166157
1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63166067
(5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine
CID 79958750

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine (CID 115999034) is 1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(C2(CN)CC(C)(C)CC(C)(C)C2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is ZIFOUMYURVXZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-16(2)11-17(3,4)13-18(12-16,14-19)21-9-7-15(8-10-21)20(5)6/h15H,7-14,19H2,1-6H3.
What are the key properties of 1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine?
1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 295.51 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 115999034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).