N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine

C14H28N2 — CID 104582387

IUPACN-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1CCCCN1CC
InChIInChI=1S/C14H28N2/c1-4-6-9-13(3)15-12-14-10-7-8-11-16(14)5-2/h4,13-15H,1,5-12H2,2-3H3
InChIKeyMPOYSBPIGMDJEV-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds7

About N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine

N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine (PubChem CID 104582387) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine
PubChem CID104582387
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1CCCCN1CC
InChIInChI=1S/C14H28N2/c1-4-6-9-13(3)15-12-14-10-7-8-11-16(14)5-2/h4,13-15H,1,5-12H2,2-3H3
InChIKeyMPOYSBPIGMDJEV-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine
CID 104581801
tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246799
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
N-(2-piperidin-1-ylethyl)hex-5-en-2-amine
CID 75525501
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115706755
(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine
CID 93283182
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
2-(2-bromopropyl)-1-ethylpiperidine
CID 126979306
1-(1-pent-4-enylpiperidin-2-yl)propan-2-ol
CID 114338062
1-ethyl-2-prop-2-enylpyrrolidine
CID 11829524
1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine
CID 83982203

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine?
The IUPAC name of N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine (CID 104582387) is N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine?
The canonical SMILES for N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine is C=CCCC(C)NCC1CCCCN1CC.
What is the InChIKey of N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine?
The InChIKey is MPOYSBPIGMDJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-6-9-13(3)15-12-14-10-7-8-11-16(14)5-2/h4,13-15H,1,5-12H2,2-3H3.
What are the key properties of N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine?
N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 104582387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).