N-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine

C9H16N2 — CID 138702833

IUPACN-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine
SMILESC=C/C(=C\C(C)=N/NC)CC
InChIInChI=1S/C9H16N2/c1-5-9(6-2)7-8(3)11-10-4/h5,7,10H,1,6H2,2-4H3/b9-7+,11-8-
InChIKeyLYQSNSYEENEDIW-BGZVTZOUSA-N
MW152.24 g/mol
LogP2.10
Rot. Bonds4

About N-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine

N-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine (PubChem CID 138702833) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine
PubChem CID138702833
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine
SMILESC=C/C(=C\C(C)=N/NC)CC
InChIInChI=1S/C9H16N2/c1-5-9(6-2)7-8(3)11-10-4/h5,7,10H,1,6H2,2-4H3/b9-7+,11-8-
InChIKeyLYQSNSYEENEDIW-BGZVTZOUSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.10
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine (CID 138702833) is N-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine is C=C/C(=C\C(C)=N/NC)CC.
What is the InChIKey of N-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine?
The InChIKey is LYQSNSYEENEDIW-BGZVTZOUSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-9(6-2)7-8(3)11-10-4/h5,7,10H,1,6H2,2-4H3/b9-7+,11-8-.
What are the key properties of N-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine?
N-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine has a molecular weight of 152.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine is sourced from PubChem (CID 138702833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).