N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine

C12H23NO — CID 62530286

IUPACN-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)CC1CCOCC1
InChIInChI=1S/C12H23NO/c1-10(9-13-12-2-3-12)8-11-4-6-14-7-5-11/h10-13H,2-9H2,1H3
InChIKeyXWLZFKJJPOVTLI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine

N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine (PubChem CID 62530286) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine
PubChem CID62530286
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)CC1CCOCC1
InChIInChI=1S/C12H23NO/c1-10(9-13-12-2-3-12)8-11-4-6-14-7-5-11/h10-13H,2-9H2,1H3
InChIKeyXWLZFKJJPOVTLI-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine
CID 104586206
2-methyl-3-(oxan-4-yl)-N-propan-2-ylpropan-1-amine
CID 62529489
N-(2-methylbutyl)oxan-4-amine
CID 43609665
N-(3-cyclohexyl-2-methylpropyl)cyclobutanamine
CID 114899134
N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine
CID 114192573
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
N'-cyclopropyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 117238528
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 79409399
N-[(3S)-3-bromo-2-methylbutyl]oxan-4-amine
CID 147170571
1-(oxan-4-yl)propan-2-amine
CID 21054632
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
(2R)-N-chloro-1-(oxan-4-yl)propan-2-amine
CID 90382614

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine (CID 62530286) is N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine is CC(CNC1CC1)CC1CCOCC1.
What is the InChIKey of N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine?
The InChIKey is XWLZFKJJPOVTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(9-13-12-2-3-12)8-11-4-6-14-7-5-11/h10-13H,2-9H2,1H3.
What are the key properties of N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine?
N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 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-(oxan-4-yl)propyl]cyclopropanamine is sourced from PubChem (CID 62530286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).