(4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium

C7H14N3+ — CID 143479361

IUPAC(4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium
SMILESCN1CCC(N)=C(C=[NH2+])C1
InChIInChI=1S/C7H13N3/c1-10-3-2-7(9)6(4-8)5-10/h4,8H,2-3,5,9H2,1H3/p+1
InChIKeyKPGQURXPJHBFAX-UHFFFAOYSA-O
MW140.21 g/mol
LogP-1.64
Rot. Bonds1

About (4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium

(4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium (PubChem CID 143479361) has the molecular formula C7H14N3+ and a molecular weight of 140.21 g/mol. Its IUPAC name is (4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium.

Molecular Properties

Compound Name(4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium
PubChem CID143479361
Molecular FormulaC7H14N3+
Molecular Weight140.21 g/mol
Exact Mass140.12
IUPAC Name(4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium
SMILESCN1CCC(N)=C(C=[NH2+])C1
InChIInChI=1S/C7H13N3/c1-10-3-2-7(9)6(4-8)5-10/h4,8H,2-3,5,9H2,1H3/p+1
InChIKeyKPGQURXPJHBFAX-UHFFFAOYSA-O
XLogP-1.64
TPSA54.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium?
The IUPAC name of (4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium (CID 143479361) is (4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium.
What is the SMILES notation for (4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium?
The canonical SMILES for (4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium is CN1CCC(N)=C(C=[NH2+])C1.
What is the InChIKey of (4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium?
The InChIKey is KPGQURXPJHBFAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N3/c1-10-3-2-7(9)6(4-8)5-10/h4,8H,2-3,5,9H2,1H3/p+1.
What are the key properties of (4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium?
(4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium has a molecular weight of 140.21 g/mol, XLogP of -1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methyl-3,6-dihydro-2H-pyridin-5-yl)methylideneazanium is sourced from PubChem (CID 143479361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).