4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane

C14H27NO — CID 163870481

IUPAC4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane
SMILESC=C(C)N1CCCC(OC)(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO/c1-12(2)15-10-7-8-14(16-6,9-11-15)13(3,4)5/h1,7-11H2,2-6H3
InChIKeyCURALGVSZHDMSD-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.44
Rot. Bonds2

About 4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane

4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane (PubChem CID 163870481) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane.

Molecular Properties

Compound Name4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane
PubChem CID163870481
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane
SMILESC=C(C)N1CCCC(OC)(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO/c1-12(2)15-10-7-8-14(16-6,9-11-15)13(3,4)5/h1,7-11H2,2-6H3
InChIKeyCURALGVSZHDMSD-UHFFFAOYSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone
CID 166827927
1-prop-1-en-2-ylpiperidine
CID 12570653
ethane;1-prop-1-en-2-ylpiperidine
CID 142839582
4-tert-butyl-4-methoxy-1-methylidenethiepane 1-oxide
CID 163870479
4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide
CID 122675582
N-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine
CID 154980420
(1-tert-butylcyclopentyl) acetate
CID 58430277
1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 155953063
(4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone
CID 130230324
4-chloro-1-prop-1-en-2-ylpiperidine
CID 11367163
2-chloro-1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 121203329
ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 177326086

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane?
The IUPAC name of 4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane (CID 163870481) is 4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane.
What is the SMILES notation for 4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane?
The canonical SMILES for 4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane is C=C(C)N1CCCC(OC)(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane?
The InChIKey is CURALGVSZHDMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)15-10-7-8-14(16-6,9-11-15)13(3,4)5/h1,7-11H2,2-6H3.
What are the key properties of 4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane?
4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane has a molecular weight of 225.38 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane is sourced from PubChem (CID 163870481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).