4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine

C17H34N2 — CID 114515181

IUPAC4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine
SMILESCCC1CCCC(NCCC2CCN(C)CC2)CC1
InChIInChI=1S/C17H34N2/c1-3-15-5-4-6-17(8-7-15)18-12-9-16-10-13-19(2)14-11-16/h15-18H,3-14H2,1-2H3
InChIKeyJAJIMXOPPADIHH-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds5

About 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine

4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine (PubChem CID 114515181) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine
PubChem CID114515181
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine
SMILESCCC1CCCC(NCCC2CCN(C)CC2)CC1
InChIInChI=1S/C17H34N2/c1-3-15-5-4-6-17(8-7-15)18-12-9-16-10-13-19(2)14-11-16/h15-18H,3-14H2,1-2H3
InChIKeyJAJIMXOPPADIHH-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N-(2-cyclobutylethyl)-1-methylpiperidin-4-amine
CID 115893453
N-[2-(1-methylpiperidin-4-yl)ethyl]cyclooctanamine
CID 115717422
N-(2-cyclopentylethyl)-4-ethylcyclohexan-1-amine
CID 63450135
4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine
CID 115653405
N-(2-cyclobutylethyl)-3-ethylcyclopentan-1-amine
CID 115690186
N'-(4-ethylcycloheptyl)ethane-1,2-diamine
CID 65083098
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448828
4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine
CID 65087017
4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
CID 62416677
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
CID 104859771
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
CID 114515525
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine (CID 114515181) is 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine is CCC1CCCC(NCCC2CCN(C)CC2)CC1.
What is the InChIKey of 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine?
The InChIKey is JAJIMXOPPADIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-15-5-4-6-17(8-7-15)18-12-9-16-10-13-19(2)14-11-16/h15-18H,3-14H2,1-2H3.
What are the key properties of 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine?
4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 114515181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).