(Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine

C10H19N3 — CID 146229741

IUPAC(Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine
SMILESCCC(C)/N=C1\CNCC\C1=C\N
InChIInChI=1S/C10H19N3/c1-3-8(2)13-10-7-12-5-4-9(10)6-11/h6,8,12H,3-5,7,11H2,1-2H3/b9-6-,13-10+
InChIKeyDMZVLCVSKPFKNQ-OWQKPFLESA-N
MW181.28 g/mol
LogP1.06
Rot. Bonds2

About (Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine

(Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine (PubChem CID 146229741) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine.

Molecular Properties

Compound Name(Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine
PubChem CID146229741
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine
SMILESCCC(C)/N=C1\CNCC\C1=C\N
InChIInChI=1S/C10H19N3/c1-3-8(2)13-10-7-12-5-4-9(10)6-11/h6,8,12H,3-5,7,11H2,1-2H3/b9-6-,13-10+
InChIKeyDMZVLCVSKPFKNQ-OWQKPFLESA-N
XLogP1.06
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine?
The IUPAC name of (Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine (CID 146229741) is (Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine.
What is the SMILES notation for (Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine?
The canonical SMILES for (Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine is CCC(C)/N=C1\CNCC\C1=C\N.
What is the InChIKey of (Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine?
The InChIKey is DMZVLCVSKPFKNQ-OWQKPFLESA-N. The full InChI is InChI=1S/C10H19N3/c1-3-8(2)13-10-7-12-5-4-9(10)6-11/h6,8,12H,3-5,7,11H2,1-2H3/b9-6-,13-10+.
What are the key properties of (Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine?
(Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine has a molecular weight of 181.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine is sourced from PubChem (CID 146229741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).