N-(3-methylbut-3-enyl)piperidin-1-amine

C10H20N2 — CID 114472483

IUPACN-(3-methylbut-3-enyl)piperidin-1-amine
SMILESC=C(C)CCNN1CCCCC1
InChIInChI=1S/C10H20N2/c1-10(2)6-7-11-12-8-4-3-5-9-12/h11H,1,3-9H2,2H3
InChIKeyWJWZPRMJUKGYLX-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.94
Rot. Bonds4

About N-(3-methylbut-3-enyl)piperidin-1-amine

N-(3-methylbut-3-enyl)piperidin-1-amine (PubChem CID 114472483) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-(3-methylbut-3-enyl)piperidin-1-amine.

Molecular Properties

Compound NameN-(3-methylbut-3-enyl)piperidin-1-amine
PubChem CID114472483
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-(3-methylbut-3-enyl)piperidin-1-amine
SMILESC=C(C)CCNN1CCCCC1
InChIInChI=1S/C10H20N2/c1-10(2)6-7-11-12-8-4-3-5-9-12/h11H,1,3-9H2,2H3
InChIKeyWJWZPRMJUKGYLX-UHFFFAOYSA-N
XLogP1.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-3-enyl)piperidin-1-amine?
The IUPAC name of N-(3-methylbut-3-enyl)piperidin-1-amine (CID 114472483) is N-(3-methylbut-3-enyl)piperidin-1-amine.
What is the SMILES notation for N-(3-methylbut-3-enyl)piperidin-1-amine?
The canonical SMILES for N-(3-methylbut-3-enyl)piperidin-1-amine is C=C(C)CCNN1CCCCC1.
What is the InChIKey of N-(3-methylbut-3-enyl)piperidin-1-amine?
The InChIKey is WJWZPRMJUKGYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-10(2)6-7-11-12-8-4-3-5-9-12/h11H,1,3-9H2,2H3.
What are the key properties of N-(3-methylbut-3-enyl)piperidin-1-amine?
N-(3-methylbut-3-enyl)piperidin-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-3-enyl)piperidin-1-amine is sourced from PubChem (CID 114472483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).