N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine

C14H28N2 — CID 114476807

IUPACN-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine
SMILESC=C(C)CCN1CCC(CNC(C)C)CC1
InChIInChI=1S/C14H28N2/c1-12(2)5-8-16-9-6-14(7-10-16)11-15-13(3)4/h13-15H,1,5-11H2,2-4H3
InChIKeyWBELRQWKXSBNFQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds6

About N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine

N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine (PubChem CID 114476807) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine
PubChem CID114476807
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine
SMILESC=C(C)CCN1CCC(CNC(C)C)CC1
InChIInChI=1S/C14H28N2/c1-12(2)5-8-16-9-6-14(7-10-16)11-15-13(3)4/h13-15H,1,5-11H2,2-4H3
InChIKeyWBELRQWKXSBNFQ-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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine (CID 114476807) is N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine is C=C(C)CCN1CCC(CNC(C)C)CC1.
What is the InChIKey of N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is WBELRQWKXSBNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)5-8-16-9-6-14(7-10-16)11-15-13(3)4/h13-15H,1,5-11H2,2-4H3.
What are the key properties of N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine?
N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-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-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114476807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).