1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine

C14H28N2 — CID 117018202

IUPAC1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine
SMILESCNC1CN(C2CCCCCC2)C(C)(C)C1
InChIInChI=1S/C14H28N2/c1-14(2)10-12(15-3)11-16(14)13-8-6-4-5-7-9-13/h12-13,15H,4-11H2,1-3H3
InChIKeyKHRKBVHZRPFNSA-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.78
Rot. Bonds2

About 1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine

1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine (PubChem CID 117018202) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine
PubChem CID117018202
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine
SMILESCNC1CN(C2CCCCCC2)C(C)(C)C1
InChIInChI=1S/C14H28N2/c1-14(2)10-12(15-3)11-16(14)13-8-6-4-5-7-9-13/h12-13,15H,4-11H2,1-3H3
InChIKeyKHRKBVHZRPFNSA-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine
CID 117018992
2,2-dimethyl-1-azabicyclo[2.1.0]pentane
CID 153124114
8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106808
1-cyclopentyl-N,2,2-trimethylpiperidin-3-amine
CID 117019268
1-cycloheptyl-N-methylpyrrolidin-3-amine
CID 43315596
1-cyclooctyl-N-methylpiperidin-3-amine
CID 62536163
1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol
CID 117016811
N-methylcyclohexanamine
CID 7514
N-methylcyclotetradecanamine
CID 59468246
N-methyl-9-(3,3,5,5-tetramethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 103968392
1-hydroxy-N,2,2,6,6-pentamethylpiperidin-4-amine
CID 11853021
1-cyclohexyl-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 82936775

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine (CID 117018202) is 1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine is CNC1CN(C2CCCCCC2)C(C)(C)C1.
What is the InChIKey of 1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine?
The InChIKey is KHRKBVHZRPFNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2)10-12(15-3)11-16(14)13-8-6-4-5-7-9-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine?
1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 117018202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).