N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine

C12H23NO — CID 114899221

IUPACN-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine
SMILESCC(CNC1CCC1)CC1CCCO1
InChIInChI=1S/C12H23NO/c1-10(8-12-6-3-7-14-12)9-13-11-4-2-5-11/h10-13H,2-9H2,1H3
InChIKeyQWKUFYTYTSXBPA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds5

About N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine

N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine (PubChem CID 114899221) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine
PubChem CID114899221
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine
SMILESCC(CNC1CCC1)CC1CCCO1
InChIInChI=1S/C12H23NO/c1-10(8-12-6-3-7-14-12)9-13-11-4-2-5-11/h10-13H,2-9H2,1H3
InChIKeyQWKUFYTYTSXBPA-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(oxolan-2-ylmethyl)butyl]cyclopropanamine
CID 62548272
N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine
CID 104586206
N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine
CID 106495862
N-[2-(oxolan-2-ylmethoxy)propyl]cyclopentanamine
CID 62572194
(2S)-2-(3-chloro-2-methylpropyl)oxolane
CID 165447123
2-(3-bromo-2-methylpropyl)oxolane
CID 66049606
N-[2-(oxolan-2-ylmethoxy)propyl]cyclohexanamine
CID 62572342
N-(3-cyclohexyl-2-methylpropyl)cyclobutanamine
CID 114899134
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine
CID 62530286
1-(oxolan-2-yl)-N-[1-(oxolan-2-yl)ethyl]propan-2-amine
CID 115709344

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine?
The IUPAC name of N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine (CID 114899221) is N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine.
What is the SMILES notation for N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine?
The canonical SMILES for N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine is CC(CNC1CCC1)CC1CCCO1.
What is the InChIKey of N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine?
The InChIKey is QWKUFYTYTSXBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(8-12-6-3-7-14-12)9-13-11-4-2-5-11/h10-13H,2-9H2,1H3.
What are the key properties of N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine?
N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine is sourced from PubChem (CID 114899221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).