1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine

C16H32N2 — CID 117025004

IUPAC1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine
SMILESCNCC1CCN(C2CCCCCC2)CC1(C)C
InChIInChI=1S/C16H32N2/c1-16(2)13-18(11-10-14(16)12-17-3)15-8-6-4-5-7-9-15/h14-15,17H,4-13H2,1-3H3
InChIKeyPGBOVIBOSDYCAC-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds3

About 1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine

1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine (PubChem CID 117025004) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine
PubChem CID117025004
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine
SMILESCNCC1CCN(C2CCCCCC2)CC1(C)C
InChIInChI=1S/C16H32N2/c1-16(2)13-18(11-10-14(16)12-17-3)15-8-6-4-5-7-9-15/h14-15,17H,4-13H2,1-3H3
InChIKeyPGBOVIBOSDYCAC-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexyl-4,4-dimethylpiperidin-3-yl)-N-methylmethanamine
CID 117025891
(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine
CID 171846999
1-(2,2-dimethylcycloheptyl)-N-methylmethanamine
CID 83905807
(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate
CID 171846998
N-methyl-1-(1,2,2-trimethylpiperidin-3-yl)methanamine
CID 117019831
1-(1-ethylazepan-4-yl)-3,3-dimethylpiperidin-4-amine
CID 114267616
1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine
CID 117025017
1-cycloheptyl-N-methylpyrrolidin-3-amine
CID 43315596
N-methyl-1-spiro[4.5]decan-10-ylmethanamine
CID 83906628
N-[(1-cycloheptylpiperidin-4-yl)methyl]propan-2-amine
CID 82925346
1-cycloheptyl-3,3-dimethyl-1,4-diazepane
CID 64944315
1-cyclobutyl-N,4-dimethylpiperidin-4-amine
CID 115304164

Frequently Asked Questions

What is the IUPAC name of 1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine (CID 117025004) is 1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine is CNCC1CCN(C2CCCCCC2)CC1(C)C.
What is the InChIKey of 1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine?
The InChIKey is PGBOVIBOSDYCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-16(2)13-18(11-10-14(16)12-17-3)15-8-6-4-5-7-9-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine?
1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cycloheptyl-3,3-dimethylpiperidin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 117025004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).