5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine

C13H28N2 — CID 63157135

IUPAC5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
SMILESCCC1(C)CCN(CCCCCN)CC1
InChIInChI=1S/C13H28N2/c1-3-13(2)7-11-15(12-8-13)10-6-4-5-9-14/h3-12,14H2,1-2H3
InChIKeyXIGOJXGYUNYOAD-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds6

About 5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine

5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine (PubChem CID 63157135) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
PubChem CID63157135
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
SMILESCCC1(C)CCN(CCCCCN)CC1
InChIInChI=1S/C13H28N2/c1-3-13(2)7-11-15(12-8-13)10-6-4-5-9-14/h3-12,14H2,1-2H3
InChIKeyXIGOJXGYUNYOAD-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
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

7-(4,4-diethylpiperidin-1-yl)heptan-1-amine
CID 55159303
6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295886
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
5-(8-azaspiro[4.5]decan-8-yl)pentan-1-amine
CID 63157322
N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine
CID 63163483
2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide
CID 63158997
3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63160587
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride
CID 54606300
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)hexan-1-amine
CID 129354044
4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 63160182

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine?
The IUPAC name of 5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine (CID 63157135) is 5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine.
What is the SMILES notation for 5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine?
The canonical SMILES for 5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine is CCC1(C)CCN(CCCCCN)CC1.
What is the InChIKey of 5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine?
The InChIKey is XIGOJXGYUNYOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-13(2)7-11-15(12-8-13)10-6-4-5-9-14/h3-12,14H2,1-2H3.
What are the key properties of 5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine?
5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine is sourced from PubChem (CID 63157135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).