N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine

C13H25N3 — CID 134406137

IUPACN,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine
SMILESC/C=C\N=C\CCN1CCC(N(C)C)CC1
InChIInChI=1S/C13H25N3/c1-4-8-14-9-5-10-16-11-6-13(7-12-16)15(2)3/h4,8-9,13H,5-7,10-12H2,1-3H3/b8-4-,14-9+
InChIKeyVBJNTKIBJNEOML-IJTNGVFDSA-N
MW223.36 g/mol
LogP2.01
Rot. Bonds5

About N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine

N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine (PubChem CID 134406137) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine
PubChem CID134406137
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine
SMILESC/C=C\N=C\CCN1CCC(N(C)C)CC1
InChIInChI=1S/C13H25N3/c1-4-8-14-9-5-10-16-11-6-13(7-12-16)15(2)3/h4,8-9,13H,5-7,10-12H2,1-3H3/b8-4-,14-9+
InChIKeyVBJNTKIBJNEOML-IJTNGVFDSA-N
XLogP2.01
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
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 N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine (CID 134406137) is N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine is C/C=C\N=C\CCN1CCC(N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine?
The InChIKey is VBJNTKIBJNEOML-IJTNGVFDSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-8-14-9-5-10-16-11-6-13(7-12-16)15(2)3/h4,8-9,13H,5-7,10-12H2,1-3H3/b8-4-,14-9+.
What are the key properties of N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine?
N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine has a molecular weight of 223.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine is sourced from PubChem (CID 134406137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).