N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine

C13H25NO — CID 107138108

IUPACN-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine
SMILESCC(C)(CCNC1CC1)C1CCCOC1
InChIInChI=1S/C13H25NO/c1-13(2,7-8-14-12-5-6-12)11-4-3-9-15-10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyIEPHIESSJISVET-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds5

About N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine

N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine (PubChem CID 107138108) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine
PubChem CID107138108
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine
SMILESCC(C)(CCNC1CC1)C1CCCOC1
InChIInChI=1S/C13H25NO/c1-13(2,7-8-14-12-5-6-12)11-4-3-9-15-10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyIEPHIESSJISVET-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-chloro-2-methylpropan-2-yl)oxane
CID 165474775
2-(oxan-3-yl)propan-2-amine
CID 82417868
N-(2,2-dimethylpropyl)oxan-3-amine
CID 63360307
4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol
CID 165464576
1-N-(3-cyclopropyl-3-methylbutyl)cyclobutane-1,3-diamine
CID 146398853
N-(4,4-dimethylpentyl)oxolan-3-amine
CID 115689448
1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol
CID 107135690
3-pentan-3-yloxane
CID 15620798
N-(3,3,3-trifluoropropyl)oxolan-3-amine
CID 63335110
2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid
CID 115221048
N-(2-ethoxyethyl)oxan-3-amine
CID 63363906
N-(3,3-dimethylbutan-2-yl)oxan-3-amine
CID 115717971

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine (CID 107138108) is N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine is CC(C)(CCNC1CC1)C1CCCOC1.
What is the InChIKey of N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine?
The InChIKey is IEPHIESSJISVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,7-8-14-12-5-6-12)11-4-3-9-15-10-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine?
N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine is sourced from PubChem (CID 107138108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).