N-hexan-2-ylethanimine

C8H17N — CID 58862526

IUPACN-hexan-2-ylethanimine
SMILESC/C=N/C(C)CCCC
InChIInChI=1S/C8H17N/c1-4-6-7-8(3)9-5-2/h5,8H,4,6-7H2,1-3H3/b9-5+
InChIKeyAIURLDWRLJJWTQ-WEVVVXLNSA-N
MW127.23 g/mol
LogP2.66
Rot. Bonds4

About N-hexan-2-ylethanimine

N-hexan-2-ylethanimine (PubChem CID 58862526) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-hexan-2-ylethanimine.

Molecular Properties

Compound NameN-hexan-2-ylethanimine
PubChem CID58862526
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-hexan-2-ylethanimine
SMILESC/C=N/C(C)CCCC
InChIInChI=1S/C8H17N/c1-4-6-7-8(3)9-5-2/h5,8H,4,6-7H2,1-3H3/b9-5+
InChIKeyAIURLDWRLJJWTQ-WEVVVXLNSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-hexan-2-ylethanimine?
The IUPAC name of N-hexan-2-ylethanimine (CID 58862526) is N-hexan-2-ylethanimine.
What is the SMILES notation for N-hexan-2-ylethanimine?
The canonical SMILES for N-hexan-2-ylethanimine is C/C=N/C(C)CCCC.
What is the InChIKey of N-hexan-2-ylethanimine?
The InChIKey is AIURLDWRLJJWTQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H17N/c1-4-6-7-8(3)9-5-2/h5,8H,4,6-7H2,1-3H3/b9-5+.
What are the key properties of N-hexan-2-ylethanimine?
N-hexan-2-ylethanimine has a molecular weight of 127.23 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-ylethanimine is sourced from PubChem (CID 58862526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).