N-(3-methylbut-3-en-2-yl)piperidin-3-amine

C10H20N2 — CID 90708421

IUPACN-(3-methylbut-3-en-2-yl)piperidin-3-amine
SMILESC=C(C)C(C)NC1CCCNC1
InChIInChI=1S/C10H20N2/c1-8(2)9(3)12-10-5-4-6-11-7-10/h9-12H,1,4-7H2,2-3H3
InChIKeyLRRCEWMZITZHKA-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.29
Rot. Bonds3

About N-(3-methylbut-3-en-2-yl)piperidin-3-amine

N-(3-methylbut-3-en-2-yl)piperidin-3-amine (PubChem CID 90708421) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-(3-methylbut-3-en-2-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-(3-methylbut-3-en-2-yl)piperidin-3-amine
PubChem CID90708421
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-(3-methylbut-3-en-2-yl)piperidin-3-amine
SMILESC=C(C)C(C)NC1CCCNC1
InChIInChI=1S/C10H20N2/c1-8(2)9(3)12-10-5-4-6-11-7-10/h9-12H,1,4-7H2,2-3H3
InChIKeyLRRCEWMZITZHKA-UHFFFAOYSA-N
XLogP1.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Prop-1-en-2-yl)piperidine
CID 53427466
(2S)-2-prop-1-en-2-ylpiperidine
CID 55299750
3-Methylidene-5-piperazin-1-ylpentan-1-amine
CID 21296961
2-(1,2,3,6-Tetrahydropyridin-4-yl)piperazine
CID 53758766
2-(2-Methylprop-2-enyl)piperazine
CID 54301433
2,2-Dimethyl-3-(2-methylprop-2-enyl)piperazine
CID 57203546
N-methyl-1-(3-methylbut-1-en-2-yl)piperidin-3-amine
CID 57797749
1-methyl-N-(3-methylbut-1-en-2-yl)piperidin-3-amine
CID 58201094
2-(4-Methylidenepiperidin-1-yl)ethanamine
CID 58970800
2-N-methyl-3-methylidene-1-N-prop-2-enylpentane-1,2-diamine
CID 59110309
1-methyl-N-(2-methylprop-2-en-1-yl)piperidin-4-amine
CID 60694042
1-(2-Methylprop-2-enyl)piperidin-3-amine
CID 61296494

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-3-en-2-yl)piperidin-3-amine?
The IUPAC name of N-(3-methylbut-3-en-2-yl)piperidin-3-amine (CID 90708421) is N-(3-methylbut-3-en-2-yl)piperidin-3-amine.
What is the SMILES notation for N-(3-methylbut-3-en-2-yl)piperidin-3-amine?
The canonical SMILES for N-(3-methylbut-3-en-2-yl)piperidin-3-amine is C=C(C)C(C)NC1CCCNC1.
What is the InChIKey of N-(3-methylbut-3-en-2-yl)piperidin-3-amine?
The InChIKey is LRRCEWMZITZHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)9(3)12-10-5-4-6-11-7-10/h9-12H,1,4-7H2,2-3H3.
What are the key properties of N-(3-methylbut-3-en-2-yl)piperidin-3-amine?
N-(3-methylbut-3-en-2-yl)piperidin-3-amine has a molecular weight of 168.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-3-en-2-yl)piperidin-3-amine is sourced from PubChem (CID 90708421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).