2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine

C17H34N2 — CID 62931664

IUPAC2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1CN1CCC(C)(C)CC1
InChIInChI=1S/C17H34N2/c1-4-18-16-9-7-5-6-8-15(16)14-19-12-10-17(2,3)11-13-19/h15-16,18H,4-14H2,1-3H3
InChIKeyBCMGFEVSIRWKRK-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds4

About 2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine

2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine (PubChem CID 62931664) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
PubChem CID62931664
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1CN1CCC(C)(C)CC1
InChIInChI=1S/C17H34N2/c1-4-18-16-9-7-5-6-8-15(16)14-19-12-10-17(2,3)11-13-19/h15-16,18H,4-14H2,1-3H3
InChIKeyBCMGFEVSIRWKRK-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 63495462
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62610035
N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63623409
2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol
CID 62614980
2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 65282251
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 63495679
1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol
CID 62941371
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 62773696
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine
CID 113336166
2-[4-[[2-(ethylamino)cyclopentyl]methyl]piperazin-1-yl]ethanol
CID 62616915
4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol
CID 107408771
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine
CID 55094514

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine (CID 62931664) is 2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1CN1CCC(C)(C)CC1.
What is the InChIKey of 2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine?
The InChIKey is BCMGFEVSIRWKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-18-16-9-7-5-6-8-15(16)14-19-12-10-17(2,3)11-13-19/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine?
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 62931664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).