(Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine

C11H18N4 — CID 168910641

IUPAC(Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine
SMILESCc1ccncc1/C(N)=C/N(N)C(C)C
InChIInChI=1S/C11H18N4/c1-8(2)15(13)7-11(12)10-6-14-5-4-9(10)3/h4-8H,12-13H2,1-3H3/b11-7-
InChIKeyCPFHBCFRAJBQAL-XFFZJAGNSA-N
MW206.29 g/mol
LogP1.23
Rot. Bonds3

About (Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine

(Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine (PubChem CID 168910641) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is (Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine
PubChem CID168910641
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name(Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine
SMILESCc1ccncc1/C(N)=C/N(N)C(C)C
InChIInChI=1S/C11H18N4/c1-8(2)15(13)7-11(12)10-6-14-5-4-9(10)3/h4-8H,12-13H2,1-3H3/b11-7-
InChIKeyCPFHBCFRAJBQAL-XFFZJAGNSA-N
XLogP1.23
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine?
The IUPAC name of (Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine (CID 168910641) is (Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine.
What is the SMILES notation for (Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine?
The canonical SMILES for (Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine is Cc1ccncc1/C(N)=C/N(N)C(C)C.
What is the InChIKey of (Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine?
The InChIKey is CPFHBCFRAJBQAL-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H18N4/c1-8(2)15(13)7-11(12)10-6-14-5-4-9(10)3/h4-8H,12-13H2,1-3H3/b11-7-.
What are the key properties of (Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine?
(Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine has a molecular weight of 206.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine is sourced from PubChem (CID 168910641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).