1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C18H37N3 — CID 115999095

IUPAC1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1C1(CN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C18H37N3/c1-16(2)11-17(3,4)13-18(12-16,14-19)21-9-7-8-15(21)10-20(5)6/h15H,7-14,19H2,1-6H3
InChIKeyWXACKZGAWUIUEI-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.95
Rot. Bonds4

About 1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 115999095) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID115999095
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1C1(CN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C18H37N3/c1-16(2)11-17(3,4)13-18(12-16,14-19)21-9-7-8-15(21)10-20(5)6/h15H,7-14,19H2,1-6H3
InChIKeyWXACKZGAWUIUEI-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62884867
1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885389
1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 64761570
1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine
CID 115999034
[3,3,5,5-tetramethyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 112682303
1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 115449022
1-[1-[[1-(aminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62890070
1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine
CID 79304256
[8-(2-ethylpyrrolidin-1-yl)spiro[4.5]decan-8-yl]methanamine
CID 114818062
[1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine
CID 115999067
[1-(2-ethylpyrrolidin-1-yl)-3-propan-2-ylcyclobutyl]methanamine
CID 103562653
1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 82015035

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 115999095) is 1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1C1(CN)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is WXACKZGAWUIUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-16(2)11-17(3,4)13-18(12-16,14-19)21-9-7-8-15(21)10-20(5)6/h15H,7-14,19H2,1-6H3.
What are the key properties of 1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 295.52 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 115999095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).