N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine

C11H22N2 — CID 43754885

IUPACN-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C11H22N2/c1-10(2)4-7-13-8-5-11(12-3)6-9-13/h4,11-12H,5-9H2,1-3H3
InChIKeyKLVLQCQHDVAGKO-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds3

About N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine

N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 43754885) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID43754885
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C11H22N2/c1-10(2)4-7-13-8-5-11(12-3)6-9-13/h4,11-12H,5-9H2,1-3H3
InChIKeyKLVLQCQHDVAGKO-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
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

4-(2,5-dihydro-1H-pyrrol-1-yl)piperidine
CID 54595885
1-(3-Methylbut-2-en-1-yl)piperidin-4-amine
CID 43556892
N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine
CID 86804399
(3R,4S)-3-fluoro-N-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]piperidin-4-amine
CID 137547755
1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755088
1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226114
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
1-(3-methylbut-2-enyl)-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
CID 103529443
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutan-2-yl)piperidin-4-amine
CID 103782629
1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine
CID 106210397
N-(3-methylbut-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 113825715
N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 114615812

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 43754885) is N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine is CNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is KLVLQCQHDVAGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)4-7-13-8-5-11(12-3)6-9-13/h4,11-12H,5-9H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 43754885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).