N-hept-1-en-3-ylmethanimine

C8H15N — CID 91437771

IUPACN-hept-1-en-3-ylmethanimine
SMILESC=CC(CCCC)N=C
InChIInChI=1S/C8H15N/c1-4-6-7-8(5-2)9-3/h5,8H,2-4,6-7H2,1H3
InChIKeyBCXBRSRLPHKYIZ-UHFFFAOYSA-N
MW125.22 g/mol
LogP2.43
Rot. Bonds5

About N-hept-1-en-3-ylmethanimine

N-hept-1-en-3-ylmethanimine (PubChem CID 91437771) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is N-hept-1-en-3-ylmethanimine.

Molecular Properties

Compound NameN-hept-1-en-3-ylmethanimine
PubChem CID91437771
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC NameN-hept-1-en-3-ylmethanimine
SMILESC=CC(CCCC)N=C
InChIInChI=1S/C8H15N/c1-4-6-7-8(5-2)9-3/h5,8H,2-4,6-7H2,1H3
InChIKeyBCXBRSRLPHKYIZ-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Isocyanatooct-1-ene
CID 87578132
3-Isocyanatohept-1-ene
CID 88652121
N-hept-6-en-3-ylmethanimine
CID 91148336
N-(4-methylidenehexan-2-yl)methanimine
CID 123941646
N-oct-1-en-4-ylmethanimine
CID 124181393
N-octa-1,7-dien-4-ylmethanimine
CID 124181449
N-hex-5-en-3-ylmethanimine
CID 124182000
N-hept-1-en-4-ylmethanimine
CID 124182016
N-oct-7-en-4-ylmethanimine
CID 130450405
N-(2-methyl-6-methylideneocta-1,7-dien-3-yl)methanimine
CID 139514343
N-hept-6-enylmethanimine
CID 154451415
6-Isothiocyanatohept-1-ene
CID 130899219

Frequently Asked Questions

What is the IUPAC name of N-hept-1-en-3-ylmethanimine?
The IUPAC name of N-hept-1-en-3-ylmethanimine (CID 91437771) is N-hept-1-en-3-ylmethanimine.
What is the SMILES notation for N-hept-1-en-3-ylmethanimine?
The canonical SMILES for N-hept-1-en-3-ylmethanimine is C=CC(CCCC)N=C.
What is the InChIKey of N-hept-1-en-3-ylmethanimine?
The InChIKey is BCXBRSRLPHKYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-7-8(5-2)9-3/h5,8H,2-4,6-7H2,1H3.
What are the key properties of N-hept-1-en-3-ylmethanimine?
N-hept-1-en-3-ylmethanimine has a molecular weight of 125.22 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-1-en-3-ylmethanimine is sourced from PubChem (CID 91437771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).