4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine

C17H34N2 — CID 43079554

IUPAC4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
SMILESCCC1CCC(NCCCN2CCCCC2C)CC1
InChIInChI=1S/C17H34N2/c1-3-16-8-10-17(11-9-16)18-12-6-14-19-13-5-4-7-15(19)2/h15-18H,3-14H2,1-2H3
InChIKeyAQJBSSDVQNZFSN-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds6

About 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine

4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine (PubChem CID 43079554) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
PubChem CID43079554
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
SMILESCCC1CCC(NCCCN2CCCCC2C)CC1
InChIInChI=1S/C17H34N2/c1-3-16-8-10-17(11-9-16)18-12-6-14-19-13-5-4-7-15(19)2/h15-18H,3-14H2,1-2H3
InChIKeyAQJBSSDVQNZFSN-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 28657772
N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
CID 65087209
N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine
CID 113441998
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine
CID 55087537
2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol
CID 60886265
4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
CID 62416677
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine
CID 107906360
2-methyl-1-pentylazepane
CID 134994557
1-[3-[(4-ethylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 75413110
N-[4-(4-ethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62412900

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine (CID 43079554) is 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine is CCC1CCC(NCCCN2CCCCC2C)CC1.
What is the InChIKey of 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine?
The InChIKey is AQJBSSDVQNZFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-16-8-10-17(11-9-16)18-12-6-14-19-13-5-4-7-15(19)2/h15-18H,3-14H2,1-2H3.
What are the key properties of 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine?
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 43079554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).