N-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine

C15H32N2 — CID 54976387

IUPACN-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine
SMILESCCCCCC(C)N1CCC(NCC)CC1C
InChIInChI=1S/C15H32N2/c1-5-7-8-9-13(3)17-11-10-15(16-6-2)12-14(17)4/h13-16H,5-12H2,1-4H3
InChIKeyKEFNNQSVULLFBH-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds7

About N-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine

N-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine (PubChem CID 54976387) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine
PubChem CID54976387
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine
SMILESCCCCCC(C)N1CCC(NCC)CC1C
InChIInChI=1S/C15H32N2/c1-5-7-8-9-13(3)17-11-10-15(16-6-2)12-14(17)4/h13-16H,5-12H2,1-4H3
InChIKeyKEFNNQSVULLFBH-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
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-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine
CID 62117082
N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine
CID 106223621
N-ethyl-2-methyl-1-(1-phenylpropan-2-yl)piperidin-4-amine
CID 55150861
N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine
CID 65049371
2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine
CID 64643789
N-ethyl-2-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 55172141
N-ethyl-2-methyl-1-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
CID 54976392
N-heptan-2-yl-1,2-dimethylpiperidin-4-amine
CID 81301499
N-ethyl-2-methyl-1-(1-pyridin-2-ylethyl)piperidin-4-amine
CID 54976631
N-ethyl-1-pentylpiperidin-4-amine
CID 43315098
3-methyl-2-octan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926950
1-dodecyl-N-ethylpiperidin-4-amine
CID 63400728

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine?
The IUPAC name of N-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine (CID 54976387) is N-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine?
The canonical SMILES for N-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine is CCCCCC(C)N1CCC(NCC)CC1C.
What is the InChIKey of N-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine?
The InChIKey is KEFNNQSVULLFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-7-8-9-13(3)17-11-10-15(16-6-2)12-14(17)4/h13-16H,5-12H2,1-4H3.
What are the key properties of N-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine?
N-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-heptan-2-yl-2-methylpiperidin-4-amine is sourced from PubChem (CID 54976387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).