CID 58596824

C7H16N — CID 58596824

IUPAC—
SMILESCC[CH]CCCCN
InChIInChI=1S/C7H16N/c1-2-3-4-5-6-7-8/h3H,2,4-8H2,1H3
InChIKeyDAZCWXSRXZUXEG-UHFFFAOYSA-N
MW114.21 g/mol
LogP1.73
Rot. Bonds5

About CID 58596824

CID 58596824 (PubChem CID 58596824) has the molecular formula C7H16N and a molecular weight of 114.21 g/mol.

Molecular Properties

Compound NameCID 58596824
PubChem CID58596824
Molecular FormulaC7H16N
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC Name—
SMILESCC[CH]CCCCN
InChIInChI=1S/C7H16N/c1-2-3-4-5-6-7-8/h3H,2,4-8H2,1H3
InChIKeyDAZCWXSRXZUXEG-UHFFFAOYSA-N
XLogP1.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentadec-12-en-1-amine
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(Z)-triacont-9-en-1-amine
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(Z)-hexacos-9-en-1-amine
CID 139899136
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-tetradec-7-en-1-amine
CID 10680019
hexatriacont-9-en-1-amine
CID 154086335
octadec-9-en-1-amine
CID 8219
henicos-9-en-1-amine
CID 154097370
hexacos-7-en-1-amine
CID 54386716
alumane;(Z)-octadec-9-en-1-amine
CID 175454084
tetradec-7-ene-1,14-diamine
CID 91430908
nonan-1-amine;dihydrate
CID 174770026

Frequently Asked Questions

What is the IUPAC name of CID 58596824?
The IUPAC name of CID 58596824 (CID 58596824) is not available.
What is the SMILES notation for CID 58596824?
The canonical SMILES for CID 58596824 is CC[CH]CCCCN.
What is the InChIKey of CID 58596824?
The InChIKey is DAZCWXSRXZUXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N/c1-2-3-4-5-6-7-8/h3H,2,4-8H2,1H3.
What are the key properties of CID 58596824?
CID 58596824 has a molecular weight of 114.21 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58596824 is sourced from PubChem (CID 58596824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).