ethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine

C9H18N2 — CID 142091828

IUPACethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine
SMILESCC.[H]/N=C(C)/C(=C\N=C)CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-7(5-9-3)6(2)8;1-2/h5,8H,3-4H2,1-2H3;1-2H3/b7-5-,8-6+;
InChIKeyBJFKSZNGZJOGBJ-KHCQPJBVSA-N
MW154.26 g/mol
LogP3.05
Rot. Bonds3

About ethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine

ethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine (PubChem CID 142091828) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine.

Molecular Properties

Compound Nameethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine
PubChem CID142091828
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine
SMILESCC.[H]/N=C(C)/C(=C\N=C)CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-7(5-9-3)6(2)8;1-2/h5,8H,3-4H2,1-2H3;1-2H3/b7-5-,8-6+;
InChIKeyBJFKSZNGZJOGBJ-KHCQPJBVSA-N
XLogP3.05
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
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 ethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine?
The IUPAC name of ethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine (CID 142091828) is ethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine.
What is the SMILES notation for ethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine?
The canonical SMILES for ethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine is CC.[H]/N=C(C)/C(=C\N=C)CC.
What is the InChIKey of ethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine?
The InChIKey is BJFKSZNGZJOGBJ-KHCQPJBVSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-4-7(5-9-3)6(2)8;1-2/h5,8H,3-4H2,1-2H3;1-2H3/b7-5-,8-6+;.
What are the key properties of ethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine?
ethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine has a molecular weight of 154.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine is sourced from PubChem (CID 142091828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).