(3S)-3-methyl-3-prop-2-enylazepane

C10H19N — CID 89369733

IUPAC(3S)-3-methyl-3-prop-2-enylazepane
SMILESC=CC[C@]1(C)CCCCNC1
InChIInChI=1S/C10H19N/c1-3-6-10(2)7-4-5-8-11-9-10/h3,11H,1,4-9H2,2H3/t10-/m1/s1
InChIKeyCIYYVFQMAFGCIR-SNVBAGLBSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds2

About (3S)-3-methyl-3-prop-2-enylazepane

(3S)-3-methyl-3-prop-2-enylazepane (PubChem CID 89369733) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (3S)-3-methyl-3-prop-2-enylazepane.

Molecular Properties

Compound Name(3S)-3-methyl-3-prop-2-enylazepane
PubChem CID89369733
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(3S)-3-methyl-3-prop-2-enylazepane
SMILESC=CC[C@]1(C)CCCCNC1
InChIInChI=1S/C10H19N/c1-3-6-10(2)7-4-5-8-11-9-10/h3,11H,1,4-9H2,2H3/t10-/m1/s1
InChIKeyCIYYVFQMAFGCIR-SNVBAGLBSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
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 (3S)-3-methyl-3-prop-2-enylazepane?
The IUPAC name of (3S)-3-methyl-3-prop-2-enylazepane (CID 89369733) is (3S)-3-methyl-3-prop-2-enylazepane.
What is the SMILES notation for (3S)-3-methyl-3-prop-2-enylazepane?
The canonical SMILES for (3S)-3-methyl-3-prop-2-enylazepane is C=CC[C@]1(C)CCCCNC1.
What is the InChIKey of (3S)-3-methyl-3-prop-2-enylazepane?
The InChIKey is CIYYVFQMAFGCIR-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19N/c1-3-6-10(2)7-4-5-8-11-9-10/h3,11H,1,4-9H2,2H3/t10-/m1/s1.
What are the key properties of (3S)-3-methyl-3-prop-2-enylazepane?
(3S)-3-methyl-3-prop-2-enylazepane has a molecular weight of 153.27 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 (3S)-3-methyl-3-prop-2-enylazepane is sourced from PubChem (CID 89369733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).