N-[(2R)-2-(ethylideneamino)propyl]ethanimine

C7H14N2 — CID 143163215

IUPACN-[(2R)-2-(ethylideneamino)propyl]ethanimine
SMILESC/C=N/C[C@@H](C)/N=C/C
InChIInChI=1S/C7H14N2/c1-4-8-6-7(3)9-5-2/h4-5,7H,6H2,1-3H3/b8-4+,9-5+/t7-/m1/s1
InChIKeyWWYBSQMFNPULAX-NCJNMBPZSA-N
MW126.20 g/mol
LogP1.56
Rot. Bonds3

About N-[(2R)-2-(ethylideneamino)propyl]ethanimine

N-[(2R)-2-(ethylideneamino)propyl]ethanimine (PubChem CID 143163215) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-[(2R)-2-(ethylideneamino)propyl]ethanimine.

Molecular Properties

Compound NameN-[(2R)-2-(ethylideneamino)propyl]ethanimine
PubChem CID143163215
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-[(2R)-2-(ethylideneamino)propyl]ethanimine
SMILESC/C=N/C[C@@H](C)/N=C/C
InChIInChI=1S/C7H14N2/c1-4-8-6-7(3)9-5-2/h4-5,7H,6H2,1-3H3/b8-4+,9-5+/t7-/m1/s1
InChIKeyWWYBSQMFNPULAX-NCJNMBPZSA-N
XLogP1.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
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 N-[(2R)-2-(ethylideneamino)propyl]ethanimine?
The IUPAC name of N-[(2R)-2-(ethylideneamino)propyl]ethanimine (CID 143163215) is N-[(2R)-2-(ethylideneamino)propyl]ethanimine.
What is the SMILES notation for N-[(2R)-2-(ethylideneamino)propyl]ethanimine?
The canonical SMILES for N-[(2R)-2-(ethylideneamino)propyl]ethanimine is C/C=N/C[C@@H](C)/N=C/C.
What is the InChIKey of N-[(2R)-2-(ethylideneamino)propyl]ethanimine?
The InChIKey is WWYBSQMFNPULAX-NCJNMBPZSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-8-6-7(3)9-5-2/h4-5,7H,6H2,1-3H3/b8-4+,9-5+/t7-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylideneamino)propyl]ethanimine?
N-[(2R)-2-(ethylideneamino)propyl]ethanimine has a molecular weight of 126.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylideneamino)propyl]ethanimine is sourced from PubChem (CID 143163215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).