1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine

C19H37N — CID 166755505

IUPAC1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine
SMILESCCCCCCC(C)C1CN(CC2(CC(C)C)CC2)C1
InChIInChI=1S/C19H37N/c1-5-6-7-8-9-17(4)18-13-20(14-18)15-19(10-11-19)12-16(2)3/h16-18H,5-15H2,1-4H3
InChIKeyOWDXDXBTWYVGFA-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.35
Rot. Bonds10

About 1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine

1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine (PubChem CID 166755505) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine.

Molecular Properties

Compound Name1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine
PubChem CID166755505
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine
SMILESCCCCCCC(C)C1CN(CC2(CC(C)C)CC2)C1
InChIInChI=1S/C19H37N/c1-5-6-7-8-9-17(4)18-13-20(14-18)15-19(10-11-19)12-16(2)3/h16-18H,5-15H2,1-4H3
InChIKeyOWDXDXBTWYVGFA-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octan-2-ylcyclopropane
CID 18968125
(3R)-3-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidine
CID 167196358
3-hexan-2-yl-1-(2,2,2-trifluoroethyl)azetidine
CID 170144257
6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 174276566
2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750822
4-heptan-2-ylpiperidine
CID 143122379
1-heptan-2-yl-3-propylcyclobutane
CID 123811965
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine
CID 103903995
2-methylpentaoctacontane
CID 90745672
2-methyloctacosane
CID 519147
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine?
The IUPAC name of 1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine (CID 166755505) is 1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine.
What is the SMILES notation for 1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine?
The canonical SMILES for 1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine is CCCCCCC(C)C1CN(CC2(CC(C)C)CC2)C1.
What is the InChIKey of 1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine?
The InChIKey is OWDXDXBTWYVGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-5-6-7-8-9-17(4)18-13-20(14-18)15-19(10-11-19)12-16(2)3/h16-18H,5-15H2,1-4H3.
What are the key properties of 1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine?
1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine has a molecular weight of 279.51 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-octan-2-ylazetidine is sourced from PubChem (CID 166755505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).