N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine

C13H25NO — CID 115690960

IUPACN-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine
SMILESCC(C)CC1(CNC2CCOCC2)CC1
InChIInChI=1S/C13H25NO/c1-11(2)9-13(5-6-13)10-14-12-3-7-15-8-4-12/h11-12,14H,3-10H2,1-2H3
InChIKeyHUALHECAIQXIKL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds5

About N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine

N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine (PubChem CID 115690960) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine
PubChem CID115690960
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine
SMILESCC(C)CC1(CNC2CCOCC2)CC1
InChIInChI=1S/C13H25NO/c1-11(2)9-13(5-6-13)10-14-12-3-7-15-8-4-12/h11-12,14H,3-10H2,1-2H3
InChIKeyHUALHECAIQXIKL-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

N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine
CID 115690956
N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
CID 62905553
N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392859
N-[[4-(4-methylpentan-2-yl)oxan-4-yl]methyl]cyclopropanamine
CID 114284943
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
2-methyl-N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-1-amine
CID 62905571
N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine
CID 115757308
N-[[4-(2-propan-2-yloxyethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62905041
N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine
CID 115882230
N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62907143
N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine
CID 83167933
N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120916095

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine?
The IUPAC name of N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine (CID 115690960) is N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine is CC(C)CC1(CNC2CCOCC2)CC1.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine?
The InChIKey is HUALHECAIQXIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)9-13(5-6-13)10-14-12-3-7-15-8-4-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine?
N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine 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-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine is sourced from PubChem (CID 115690960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).