1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine

C15H31N3 — CID 81464681

IUPAC1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(C2(CN)CCCCCC2)CC1N(C)C
InChIInChI=1S/C15H31N3/c1-13-10-18(11-14(13)17(2)3)15(12-16)8-6-4-5-7-9-15/h13-14H,4-12,16H2,1-3H3
InChIKeyWQUCONKBENXROX-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds3

About 1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81464681) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81464681
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(C2(CN)CCCCCC2)CC1N(C)C
InChIInChI=1S/C15H31N3/c1-13-10-18(11-14(13)17(2)3)15(12-16)8-6-4-5-7-9-15/h13-14H,4-12,16H2,1-3H3
InChIKeyWQUCONKBENXROX-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 114818220
1-[4-(aminomethyl)thian-4-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465045
1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464444
1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464797
[1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43080333
1-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465442
1-[1-(aminomethyl)cyclopentyl]-N,N-dimethylpiperidin-4-amine
CID 43585861
[1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81463790
[1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine
CID 130546872
1-[(1-aminocyclopentyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465122
[3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine
CID 79188765
[1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine
CID 43099350

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81464681) is 1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(C2(CN)CCCCCC2)CC1N(C)C.
What is the InChIKey of 1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is WQUCONKBENXROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13-10-18(11-14(13)17(2)3)15(12-16)8-6-4-5-7-9-15/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81464681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).