N-propan-2-yl-1-prop-2-enylpiperidin-3-amine

C11H22N2 — CID 83696638

IUPACN-propan-2-yl-1-prop-2-enylpiperidin-3-amine
SMILESC=CCN1CCCC(NC(C)C)C1
InChIInChI=1S/C11H22N2/c1-4-7-13-8-5-6-11(9-13)12-10(2)3/h4,10-12H,1,5-9H2,2-3H3
InChIKeyPZRKNOAINZSRIJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.63
Rot. Bonds4

About N-propan-2-yl-1-prop-2-enylpiperidin-3-amine

N-propan-2-yl-1-prop-2-enylpiperidin-3-amine (PubChem CID 83696638) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-propan-2-yl-1-prop-2-enylpiperidin-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-prop-2-enylpiperidin-3-amine
PubChem CID83696638
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-propan-2-yl-1-prop-2-enylpiperidin-3-amine
SMILESC=CCN1CCCC(NC(C)C)C1
InChIInChI=1S/C11H22N2/c1-4-7-13-8-5-6-11(9-13)12-10(2)3/h4,10-12H,1,5-9H2,2-3H3
InChIKeyPZRKNOAINZSRIJ-UHFFFAOYSA-N
XLogP1.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.63
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

(3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine
CID 166764327
1-[(2-methylcyclopentyl)methyl]-N-propan-2-ylpiperidin-3-amine
CID 107420791
3-tert-butyl-1-prop-2-enylpiperidine
CID 127001155
(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
CID 164836687
1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine
CID 114124875
1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 66569291
N-(1-cyclobutylpropan-2-yl)-1-ethylpiperidin-3-amine
CID 115711406
N-methyl-3-(1-prop-2-enylpiperidin-3-yl)propanamide
CID 143202485
1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine
CID 80724945
N-(1-cyclohexylethyl)-1-ethylpiperidin-3-amine
CID 61170770
N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine
CID 115717902
1-ethyl-N-(4-methylpentan-2-yl)piperidin-3-amine
CID 61169975

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-prop-2-enylpiperidin-3-amine?
The IUPAC name of N-propan-2-yl-1-prop-2-enylpiperidin-3-amine (CID 83696638) is N-propan-2-yl-1-prop-2-enylpiperidin-3-amine.
What is the SMILES notation for N-propan-2-yl-1-prop-2-enylpiperidin-3-amine?
The canonical SMILES for N-propan-2-yl-1-prop-2-enylpiperidin-3-amine is C=CCN1CCCC(NC(C)C)C1.
What is the InChIKey of N-propan-2-yl-1-prop-2-enylpiperidin-3-amine?
The InChIKey is PZRKNOAINZSRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-7-13-8-5-6-11(9-13)12-10(2)3/h4,10-12H,1,5-9H2,2-3H3.
What are the key properties of N-propan-2-yl-1-prop-2-enylpiperidin-3-amine?
N-propan-2-yl-1-prop-2-enylpiperidin-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-prop-2-enylpiperidin-3-amine is sourced from PubChem (CID 83696638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).