1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one

C17H34N2O — CID 165072868

IUPAC1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one
SMILESCC(C)CN1CC(CC(=O)CCCCCNC(C)C)C1
InChIInChI=1S/C17H34N2O/c1-14(2)11-19-12-16(13-19)10-17(20)8-6-5-7-9-18-15(3)4/h14-16,18H,5-13H2,1-4H3
InChIKeyIUJJWEVZMRUMII-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.09
Rot. Bonds11

About 1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one

1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one (PubChem CID 165072868) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one
PubChem CID165072868
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one
SMILESCC(C)CN1CC(CC(=O)CCCCCNC(C)C)C1
InChIInChI=1S/C17H34N2O/c1-14(2)11-19-12-16(13-19)10-17(20)8-6-5-7-9-18-15(3)4/h14-16,18H,5-13H2,1-4H3
InChIKeyIUJJWEVZMRUMII-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,7-bis(propan-2-ylamino)heptan-2-one
CID 87627017
1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide
CID 155037195
1-cyclohexyl-9-methyldecan-2-one
CID 57253495
12-methyl-11-methylidene-N-propan-2-yltridecan-1-amine
CID 138727244
N-(8-oxodecyl)-2-(propan-2-ylamino)acetamide
CID 156798496
ethane;molecular hydrogen;7-(propan-2-ylamino)heptan-2-one
CID 155740570
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
octadecanoic acid;N-propan-2-ylpentadecan-1-amine
CID 174971030
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
2-[1-(2-methylpropyl)azetidin-3-yl]-1-morpholin-4-ylethanone
CID 174897023
6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide
CID 170175574
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one?
The IUPAC name of 1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one (CID 165072868) is 1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one.
What is the SMILES notation for 1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one?
The canonical SMILES for 1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one is CC(C)CN1CC(CC(=O)CCCCCNC(C)C)C1.
What is the InChIKey of 1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one?
The InChIKey is IUJJWEVZMRUMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)11-19-12-16(13-19)10-17(20)8-6-5-7-9-18-15(3)4/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one?
1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one has a molecular weight of 282.47 g/mol, XLogP of 3.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)azetidin-3-yl]-7-(propan-2-ylamino)heptan-2-one is sourced from PubChem (CID 165072868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).