N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine

C14H28N2 — CID 115717902

IUPACN-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1CCC(NC(C)CC(C)C)CC1
InChIInChI=1S/C14H28N2/c1-5-8-16-9-6-14(7-10-16)15-13(4)11-12(2)3/h5,12-15H,1,6-11H2,2-4H3
InChIKeyOTSVTNKMAOFUQY-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds6

About N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine

N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine (PubChem CID 115717902) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine
PubChem CID115717902
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1CCC(NC(C)CC(C)C)CC1
InChIInChI=1S/C14H28N2/c1-5-8-16-9-6-14(7-10-16)15-13(4)11-12(2)3/h5,12-15H,1,6-11H2,2-4H3
InChIKeyOTSVTNKMAOFUQY-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
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-methoxypropan-2-yl)-1-prop-2-enylpiperidin-4-amine
CID 115717917
N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 43206641
1-(cyclopropylmethyl)-N-(4-methylpentan-2-yl)pyrrolidin-3-amine
CID 115718359
1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 111106538
N-(4-methylpentan-2-yl)cyclohexanamine
CID 21355503
N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine
CID 115616300
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
N-hex-5-en-2-yl-1-methylpiperidin-4-amine
CID 75525498
N-propan-2-yl-1-prop-2-enylpiperidin-3-amine
CID 83696638
N-(4-methylpentan-2-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 43371759
1-ethyl-N-(4-methylpentan-2-yl)piperidin-3-amine
CID 61169975
(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide
CID 119879124

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine?
The IUPAC name of N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine (CID 115717902) is N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine?
The canonical SMILES for N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine is C=CCN1CCC(NC(C)CC(C)C)CC1.
What is the InChIKey of N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine?
The InChIKey is OTSVTNKMAOFUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-8-16-9-6-14(7-10-16)15-13(4)11-12(2)3/h5,12-15H,1,6-11H2,2-4H3.
What are the key properties of N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine?
N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 115717902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).