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

C15H29NO — CID 114284943

IUPACN-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine
SMILESCC(C)CC(C)C1(CNC2CC2)CCOCC1
InChIInChI=1S/C15H29NO/c1-12(2)10-13(3)15(6-8-17-9-7-15)11-16-14-4-5-14/h12-14,16H,4-11H2,1-3H3
InChIKeyUOOIDBKKPFIYHT-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds6

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

N-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine (PubChem CID 114284943) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine
PubChem CID114284943
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine
SMILESCC(C)CC(C)C1(CNC2CC2)CCOCC1
InChIInChI=1S/C15H29NO/c1-12(2)10-13(3)15(6-8-17-9-7-15)11-16-14-4-5-14/h12-14,16H,4-11H2,1-3H3
InChIKeyUOOIDBKKPFIYHT-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

1-Cyclopropyl-7-oxa-2-azaspiro(3.5)nonane
CID 119056895
rac-(2R,4S)-4-methyl-2-(oxan-4-yl)piperidine
CID 165942131
N-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine
CID 62724844
2-cyclopropyl-2-methyl-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 83160329
N-ethyl-5,5,5-trifluoro-1-(3-methyloxan-4-yl)pentan-1-amine
CID 114241983
2-[2-[(2,2-Difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]piperidine
CID 126845153
4-Cyclohexyl-4-(methoxymethyl)piperidine
CID 18318094
N-[2-(Tetrahydro-2H-pyran-3-yl)ethyl]propan-2-amine
CID 64865780
3-Propan-2-yl-8-oxa-2-azaspiro[4.5]decane
CID 68044604
4-(Cyclopropylmethyl)-4-(methoxymethyl)piperidine
CID 68321463
(2R)-N-methyl-1-[(3R)-oxan-3-yl]propan-2-amine
CID 89652693
4-[(1R,2S)-2-(2-methoxyethyl)cyclopropyl]piperidine
CID 89981887

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine (CID 114284943) is N-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine is CC(C)CC(C)C1(CNC2CC2)CCOCC1.
What is the InChIKey of N-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is UOOIDBKKPFIYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)10-13(3)15(6-8-17-9-7-15)11-16-14-4-5-14/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine?
N-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 239.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114284943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).