N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine

C14H28N2 — CID 104581801

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCCN1CCCCC1C
InChIInChI=1S/C14H28N2/c1-4-5-8-13(2)15-10-12-16-11-7-6-9-14(16)3/h4,13-15H,1,5-12H2,2-3H3
InChIKeyYJJLGEJPTPHQIT-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds7

About N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine

N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine (PubChem CID 104581801) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine
PubChem CID104581801
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCCN1CCCCC1C
InChIInChI=1S/C14H28N2/c1-4-5-8-13(2)15-10-12-16-11-7-6-9-14(16)3/h4,13-15H,1,5-12H2,2-3H3
InChIKeyYJJLGEJPTPHQIT-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-(2-piperidin-1-ylethyl)hex-5-en-2-amine
CID 75525501
N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine
CID 104582387
N-[2-(2-methylpiperidin-1-yl)ethyl]pentan-3-amine
CID 62575153
N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine
CID 64631728
3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine
CID 62573692
2-methyl-1-(5-methyloct-7-enyl)piperidine
CID 123555943
N-[2-(2-ethylazepan-1-yl)ethyl]pentan-2-amine
CID 113442007
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine
CID 115724992
1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine
CID 79541130
3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 104581836
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607
N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]heptan-2-amine
CID 102728648

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine (CID 104581801) is N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine is C=CCCC(C)NCCN1CCCCC1C.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine?
The InChIKey is YJJLGEJPTPHQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-5-8-13(2)15-10-12-16-11-7-6-9-14(16)3/h4,13-15H,1,5-12H2,2-3H3.
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine?
N-[2-(2-methylpiperidin-1-yl)ethyl]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-[2-(2-methylpiperidin-1-yl)ethyl]hex-5-en-2-amine is sourced from PubChem (CID 104581801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).