(1-prop-1-en-2-ylpiperidin-3-yl)methanamine

C9H18N2 — CID 170576253

IUPAC(1-prop-1-en-2-ylpiperidin-3-yl)methanamine
SMILESC=C(C)N1CCCC(CN)C1
InChIInChI=1S/C9H18N2/c1-8(2)11-5-3-4-9(6-10)7-11/h9H,1,3-7,10H2,2H3
InChIKeyVPGMUPBOQLDSFY-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.19
Rot. Bonds2

About (1-prop-1-en-2-ylpiperidin-3-yl)methanamine

(1-prop-1-en-2-ylpiperidin-3-yl)methanamine (PubChem CID 170576253) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1-prop-1-en-2-ylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-prop-1-en-2-ylpiperidin-3-yl)methanamine
PubChem CID170576253
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1-prop-1-en-2-ylpiperidin-3-yl)methanamine
SMILESC=C(C)N1CCCC(CN)C1
InChIInChI=1S/C9H18N2/c1-8(2)11-5-3-4-9(6-10)7-11/h9H,1,3-7,10H2,2H3
InChIKeyVPGMUPBOQLDSFY-UHFFFAOYSA-N
XLogP1.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-prop-1-en-2-ylpiperidin-3-yl)methanamine?
The IUPAC name of (1-prop-1-en-2-ylpiperidin-3-yl)methanamine (CID 170576253) is (1-prop-1-en-2-ylpiperidin-3-yl)methanamine.
What is the SMILES notation for (1-prop-1-en-2-ylpiperidin-3-yl)methanamine?
The canonical SMILES for (1-prop-1-en-2-ylpiperidin-3-yl)methanamine is C=C(C)N1CCCC(CN)C1.
What is the InChIKey of (1-prop-1-en-2-ylpiperidin-3-yl)methanamine?
The InChIKey is VPGMUPBOQLDSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)11-5-3-4-9(6-10)7-11/h9H,1,3-7,10H2,2H3.
What are the key properties of (1-prop-1-en-2-ylpiperidin-3-yl)methanamine?
(1-prop-1-en-2-ylpiperidin-3-yl)methanamine has a molecular weight of 154.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-1-en-2-ylpiperidin-3-yl)methanamine is sourced from PubChem (CID 170576253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).