N-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine

C9H18N2 — CID 138468321

IUPACN-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine
SMILESC/C=C(\C=N/NC(C)C)CC
InChIInChI=1S/C9H18N2/c1-5-9(6-2)7-10-11-8(3)4/h5,7-8,11H,6H2,1-4H3/b9-5-,10-7-
InChIKeyFQDDHWBLJQWTHE-IQHOYWBLSA-N
MW154.26 g/mol
LogP2.33
Rot. Bonds4

About N-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine

N-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine (PubChem CID 138468321) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine.

Molecular Properties

Compound NameN-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine
PubChem CID138468321
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine
SMILESC/C=C(\C=N/NC(C)C)CC
InChIInChI=1S/C9H18N2/c1-5-9(6-2)7-10-11-8(3)4/h5,7-8,11H,6H2,1-4H3/b9-5-,10-7-
InChIKeyFQDDHWBLJQWTHE-IQHOYWBLSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine?
The IUPAC name of N-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine (CID 138468321) is N-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine.
What is the SMILES notation for N-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine?
The canonical SMILES for N-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine is C/C=C(\C=N/NC(C)C)CC.
What is the InChIKey of N-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine?
The InChIKey is FQDDHWBLJQWTHE-IQHOYWBLSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-9(6-2)7-10-11-8(3)4/h5,7-8,11H,6H2,1-4H3/b9-5-,10-7-.
What are the key properties of N-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine?
N-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine has a molecular weight of 154.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]propan-2-amine is sourced from PubChem (CID 138468321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).