(4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane

C16H31N3O — CID 168894030

IUPAC(4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane
SMILESCCCC(C)CCC.[H]/N=c1\cc(OCC)ccn1CN
InChIInChI=1S/C8H13N3O.C8H18/c1-2-12-7-3-4-11(6-9)8(10)5-7;1-4-6-8(3)7-5-2/h3-5,10H,2,6,9H2,1H3;8H,4-7H2,1-3H3/b10-8+;
InChIKeyNLPWZFFLBALMLI-VRTOBVRTSA-N
MW281.44 g/mol
LogP3.51
Rot. Bonds7

About (4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane

(4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane (PubChem CID 168894030) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane.

Molecular Properties

Compound Name(4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane
PubChem CID168894030
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane
SMILESCCCC(C)CCC.[H]/N=c1\cc(OCC)ccn1CN
InChIInChI=1S/C8H13N3O.C8H18/c1-2-12-7-3-4-11(6-9)8(10)5-7;1-4-6-8(3)7-5-2/h3-5,10H,2,6,9H2,1H3;8H,4-7H2,1-3H3/b10-8+;
InChIKeyNLPWZFFLBALMLI-VRTOBVRTSA-N
XLogP3.51
TPSA64.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane
CID 168893760
(4-Ethoxy-2-imino-1-pyridinyl)methanamine
CID 168894031

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane?
The IUPAC name of (4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane (CID 168894030) is (4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane.
What is the SMILES notation for (4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane?
The canonical SMILES for (4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane is CCCC(C)CCC.[H]/N=c1\cc(OCC)ccn1CN.
What is the InChIKey of (4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane?
The InChIKey is NLPWZFFLBALMLI-VRTOBVRTSA-N. The full InChI is InChI=1S/C8H13N3O.C8H18/c1-2-12-7-3-4-11(6-9)8(10)5-7;1-4-6-8(3)7-5-2/h3-5,10H,2,6,9H2,1H3;8H,4-7H2,1-3H3/b10-8+;.
What are the key properties of (4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane?
(4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane has a molecular weight of 281.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane is sourced from PubChem (CID 168894030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).