N-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine

C14H20N4 — CID 143324238

IUPACN-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine
SMILESC=NN(/C=C\C)c1ccc(CCN=C(C)C)cn1
InChIInChI=1S/C14H20N4/c1-5-10-18(15-4)14-7-6-13(11-17-14)8-9-16-12(2)3/h5-7,10-11H,4,8-9H2,1-3H3/b10-5-
InChIKeyLGWXVKWMNPPUES-YHYXMXQVSA-N
MW244.34 g/mol
LogP3.06
Rot. Bonds6

About N-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine

N-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine (PubChem CID 143324238) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine
PubChem CID143324238
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine
SMILESC=NN(/C=C\C)c1ccc(CCN=C(C)C)cn1
InChIInChI=1S/C14H20N4/c1-5-10-18(15-4)14-7-6-13(11-17-14)8-9-16-12(2)3/h5-7,10-11H,4,8-9H2,1-3H3/b10-5-
InChIKeyLGWXVKWMNPPUES-YHYXMXQVSA-N
XLogP3.06
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine?
The IUPAC name of N-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine (CID 143324238) is N-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine.
What is the SMILES notation for N-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine?
The canonical SMILES for N-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine is C=NN(/C=C\C)c1ccc(CCN=C(C)C)cn1.
What is the InChIKey of N-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine?
The InChIKey is LGWXVKWMNPPUES-YHYXMXQVSA-N. The full InChI is InChI=1S/C14H20N4/c1-5-10-18(15-4)14-7-6-13(11-17-14)8-9-16-12(2)3/h5-7,10-11H,4,8-9H2,1-3H3/b10-5-.
What are the key properties of N-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine?
N-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine has a molecular weight of 244.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)-5-[2-(propan-2-ylideneamino)ethyl]-N-[(Z)-prop-1-enyl]pyridin-2-amine is sourced from PubChem (CID 143324238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).