N-ethylcyclohept-4-en-1-amine;molecular hydrogen

C9H19N — CID 142575463

IUPACN-ethylcyclohept-4-en-1-amine;molecular hydrogen
SMILESCCNC1CCC=CCC1.[H][H]
InChIInChI=1S/C9H17N.H2/c1-2-10-9-7-5-3-4-6-8-9;/h3-4,9-10H,2,5-8H2,1H3;1H
InChIKeyOJEHXJCFSWNLHP-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds2

About N-ethylcyclohept-4-en-1-amine;molecular hydrogen

N-ethylcyclohept-4-en-1-amine;molecular hydrogen (PubChem CID 142575463) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-ethylcyclohept-4-en-1-amine;molecular hydrogen.

Molecular Properties

Compound NameN-ethylcyclohept-4-en-1-amine;molecular hydrogen
PubChem CID142575463
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-ethylcyclohept-4-en-1-amine;molecular hydrogen
SMILESCCNC1CCC=CCC1.[H][H]
InChIInChI=1S/C9H17N.H2/c1-2-10-9-7-5-3-4-6-8-9;/h3-4,9-10H,2,5-8H2,1H3;1H
InChIKeyOJEHXJCFSWNLHP-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylcyclohept-4-en-1-amine;molecular hydrogen?
The IUPAC name of N-ethylcyclohept-4-en-1-amine;molecular hydrogen (CID 142575463) is N-ethylcyclohept-4-en-1-amine;molecular hydrogen.
What is the SMILES notation for N-ethylcyclohept-4-en-1-amine;molecular hydrogen?
The canonical SMILES for N-ethylcyclohept-4-en-1-amine;molecular hydrogen is CCNC1CCC=CCC1.[H][H].
What is the InChIKey of N-ethylcyclohept-4-en-1-amine;molecular hydrogen?
The InChIKey is OJEHXJCFSWNLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.H2/c1-2-10-9-7-5-3-4-6-8-9;/h3-4,9-10H,2,5-8H2,1H3;1H.
What are the key properties of N-ethylcyclohept-4-en-1-amine;molecular hydrogen?
N-ethylcyclohept-4-en-1-amine;molecular hydrogen has a molecular weight of 141.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylcyclohept-4-en-1-amine;molecular hydrogen is sourced from PubChem (CID 142575463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).