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

C17H34N2 — CID 55094714

IUPAC2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1CN1CCC(C)CC1C
InChIInChI=1S/C17H34N2/c1-4-18-17-9-7-5-6-8-16(17)13-19-11-10-14(2)12-15(19)3/h14-18H,4-13H2,1-3H3
InChIKeyBQEVPQOGHIHPQZ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds4

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

2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine (PubChem CID 55094714) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
PubChem CID55094714
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1CN1CCC(C)CC1C
InChIInChI=1S/C17H34N2/c1-4-18-17-9-7-5-6-8-16(17)13-19-11-10-14(2)12-15(19)3/h14-18H,4-13H2,1-3H3
InChIKeyBQEVPQOGHIHPQZ-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-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 62616382
2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-N-ethylcyclopentan-1-amine
CID 79566114
6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79848332
N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63623409
N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine
CID 104692037
2,4-dimethyl-1-[(2-methylcyclopropyl)methyl]piperidine
CID 130718623
[1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol
CID 116638196
2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 79566322
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
N-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-amine
CID 79946088
N-ethyl-3-[(2-methylazepan-1-yl)methyl]oxan-4-amine
CID 103060277
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine (CID 55094714) is 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1CN1CCC(C)CC1C.
What is the InChIKey of 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine?
The InChIKey is BQEVPQOGHIHPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-18-17-9-7-5-6-8-16(17)13-19-11-10-14(2)12-15(19)3/h14-18H,4-13H2,1-3H3.
What are the key properties of 2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine?
2-[(2,4-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-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 55094714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).