[1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine

C16H32N2 — CID 114592494

IUPAC[1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine
SMILESCC1CC(C)C(C)N(C2(CN)CCCCCC2)C1
InChIInChI=1S/C16H32N2/c1-13-10-14(2)15(3)18(11-13)16(12-17)8-6-4-5-7-9-16/h13-15H,4-12,17H2,1-3H3
InChIKeyJSRZBSUNMLWWMG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds2

About [1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine

[1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine (PubChem CID 114592494) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine
PubChem CID114592494
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine
SMILESCC1CC(C)C(C)N(C2(CN)CCCCCC2)C1
InChIInChI=1S/C16H32N2/c1-13-10-14(2)15(3)18(11-13)16(12-17)8-6-4-5-7-9-16/h13-15H,4-12,17H2,1-3H3
InChIKeyJSRZBSUNMLWWMG-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine
CID 114592541
[8-(2,3,5-trimethylpiperidin-1-yl)spiro[4.5]decan-8-yl]methanamine
CID 114818269
[4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 114592435
[1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43080333
[2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine
CID 114592631
[1-(2,3-dimethylpiperidin-1-yl)-4-methylcyclohexyl]methanamine
CID 55040418
[1-(2,5-dimethylmorpholin-4-yl)cycloheptyl]methanamine
CID 43544407
[1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 24697145
[1-(3,5-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661002
[1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine
CID 63471950
1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464681
[1-(3,5-dimethylpiperidin-1-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088509

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine?
The IUPAC name of [1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine (CID 114592494) is [1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine.
What is the SMILES notation for [1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine?
The canonical SMILES for [1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine is CC1CC(C)C(C)N(C2(CN)CCCCCC2)C1.
What is the InChIKey of [1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine?
The InChIKey is JSRZBSUNMLWWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-10-14(2)15(3)18(11-13)16(12-17)8-6-4-5-7-9-16/h13-15H,4-12,17H2,1-3H3.
What are the key properties of [1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine?
[1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine is sourced from PubChem (CID 114592494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).