1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C17H35N3 — CID 62884867

IUPAC1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCC(C)C1CCC(CN)(N2CCCC2CN(C)C)CC1
InChIInChI=1S/C17H35N3/c1-14(2)15-7-9-17(13-18,10-8-15)20-11-5-6-16(20)12-19(3)4/h14-16H,5-13,18H2,1-4H3
InChIKeyPJDFQLUMBSSBFB-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.56
Rot. Bonds5

About 1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 62884867) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID62884867
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCC(C)C1CCC(CN)(N2CCCC2CN(C)C)CC1
InChIInChI=1S/C17H35N3/c1-14(2)15-7-9-17(13-18,10-8-15)20-11-5-6-16(20)12-19(3)4/h14-16H,5-13,18H2,1-4H3
InChIKeyPJDFQLUMBSSBFB-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63470394
1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885389
1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 115999095
[1-(2-ethylpyrrolidin-1-yl)-3-propan-2-ylcyclobutyl]methanamine
CID 103562653
[1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65089102
1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 64761570
[1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 55248044
[3-propan-2-yl-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine
CID 103563032
[8-(2-ethylpyrrolidin-1-yl)spiro[4.5]decan-8-yl]methanamine
CID 114818062
1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 115449022
[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65091393
1-[1-[[1-(aminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62890070

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 62884867) is 1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CC(C)C1CCC(CN)(N2CCCC2CN(C)C)CC1.
What is the InChIKey of 1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is PJDFQLUMBSSBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-14(2)15-7-9-17(13-18,10-8-15)20-11-5-6-16(20)12-19(3)4/h14-16H,5-13,18H2,1-4H3.
What are the key properties of 1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 281.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 62884867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).