N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine

C15H26N4 — CID 143221298

IUPACN-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine
SMILES[H]/N=C1\C=CC(CNC2CCN(CCC)CC2)=CC1N
InChIInChI=1S/C15H26N4/c1-2-7-19-8-5-13(6-9-19)18-11-12-3-4-14(16)15(17)10-12/h3-4,10,13,15-16,18H,2,5-9,11,17H2,1H3/b16-14+
InChIKeyADLUFUFGFZXGGL-JQIJEIRASA-N
MW262.40 g/mol
LogP1.29
Rot. Bonds5

About N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine

N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine (PubChem CID 143221298) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine
PubChem CID143221298
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine
SMILES[H]/N=C1\C=CC(CNC2CCN(CCC)CC2)=CC1N
InChIInChI=1S/C15H26N4/c1-2-7-19-8-5-13(6-9-19)18-11-12-3-4-14(16)15(17)10-12/h3-4,10,13,15-16,18H,2,5-9,11,17H2,1H3/b16-14+
InChIKeyADLUFUFGFZXGGL-JQIJEIRASA-N
XLogP1.29
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine (CID 143221298) is N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine is [H]/N=C1\C=CC(CNC2CCN(CCC)CC2)=CC1N.
What is the InChIKey of N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine?
The InChIKey is ADLUFUFGFZXGGL-JQIJEIRASA-N. The full InChI is InChI=1S/C15H26N4/c1-2-7-19-8-5-13(6-9-19)18-11-12-3-4-14(16)15(17)10-12/h3-4,10,13,15-16,18H,2,5-9,11,17H2,1H3/b16-14+.
What are the key properties of N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine?
N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 143221298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).