CID 135006925

C8H15N+ — CID 135006925

IUPAC—
SMILESCC/C=C/[N+]1CCCC1
InChIInChI=1S/C8H15N/c1-2-3-6-9-7-4-5-8-9/h3,6H,2,4-5,7-8H2,1H3/q+1/b6-3+
InChIKeyIJIINOOSOQFOFR-ZZXKWVIFSA-N
MW125.21 g/mol
LogP1.84
Rot. Bonds2

About CID 135006925

CID 135006925 (PubChem CID 135006925) has the molecular formula C8H15N+ and a molecular weight of 125.21 g/mol.

Molecular Properties

Compound NameCID 135006925
PubChem CID135006925
Molecular FormulaC8H15N+
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name—
SMILESCC/C=C/[N+]1CCCC1
InChIInChI=1S/C8H15N/c1-2-3-6-9-7-4-5-8-9/h3,6H,2,4-5,7-8H2,1H3/q+1/b6-3+
InChIKeyIJIINOOSOQFOFR-ZZXKWVIFSA-N
XLogP1.84
TPSA5.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-Butenyl)pyrrolidine
CID 250707
Pyrrolidine, 1-(1-butenyl)-
CID 5357122
((z)-1-Propenyl)-pyrrolidine
CID 643803
1H-Pyrrole, 2,3-dihydro-1-methyl-
CID 557463
Pyrrolidine, 1-propenyl-
CID 638322
Pyrrolidine, 1-(1-pentenyl)-
CID 5370211
1-Buta-1,3-dienyl-pyrrolidine
CID 5371320
1-[(Z)-oct-1-enyl]pyrrolidine
CID 13409150
1-[(1Z)-buta-1,3-dienyl]pyrrolidine
CID 134863379
1-But-1-enylpyrrolidine
CID 139649
1-Propenyl-pyrrolidine
CID 574069
1-Buten-1-amine, N,N-dipropyl-
CID 575133

Frequently Asked Questions

What is the IUPAC name of CID 135006925?
The IUPAC name of CID 135006925 (CID 135006925) is not available.
What is the SMILES notation for CID 135006925?
The canonical SMILES for CID 135006925 is CC/C=C/[N+]1CCCC1.
What is the InChIKey of CID 135006925?
The InChIKey is IJIINOOSOQFOFR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-6-9-7-4-5-8-9/h3,6H,2,4-5,7-8H2,1H3/q+1/b6-3+.
What are the key properties of CID 135006925?
CID 135006925 has a molecular weight of 125.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135006925 is sourced from PubChem (CID 135006925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).