N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine

C12H25NO — CID 166827931

IUPACN-methyl-4-(2-methylpentan-2-yl)oxan-4-amine
SMILESCCCC(C)(C)C1(NC)CCOCC1
InChIInChI=1S/C12H25NO/c1-5-6-11(2,3)12(13-4)7-9-14-10-8-12/h13H,5-10H2,1-4H3
InChIKeyBBVKFPIMDHISNM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds4

About N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine

N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine (PubChem CID 166827931) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylpentan-2-yl)oxan-4-amine
PubChem CID166827931
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-methyl-4-(2-methylpentan-2-yl)oxan-4-amine
SMILESCCCC(C)(C)C1(NC)CCOCC1
InChIInChI=1S/C12H25NO/c1-5-6-11(2,3)12(13-4)7-9-14-10-8-12/h13H,5-10H2,1-4H3
InChIKeyBBVKFPIMDHISNM-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine
CID 154952971
4-(4-hydroxyheptan-4-yl)oxane-4-carbonitrile
CID 114867119
4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride
CID 72942834
N-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide
CID 165457258
4-(difluoromethyl)-N-methyloxepan-4-amine
CID 80605984
4-[[(2-amino-2-methylpentanoyl)amino]methyl]oxane-4-carboxylic acid
CID 115439956
N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine
CID 82932929
2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid
CID 79695131
4-(2-methylpentan-2-yl)oxane
CID 129015452
ethyl 2-[4-(methylamino)oxepan-4-yl]acetate
CID 65236733
N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine
CID 62725215
4-(difluoromethyl)-N-propyloxepan-4-amine
CID 80606016

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine?
The IUPAC name of N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine (CID 166827931) is N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine.
What is the SMILES notation for N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine?
The canonical SMILES for N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine is CCCC(C)(C)C1(NC)CCOCC1.
What is the InChIKey of N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine?
The InChIKey is BBVKFPIMDHISNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-6-11(2,3)12(13-4)7-9-14-10-8-12/h13H,5-10H2,1-4H3.
What are the key properties of N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine?
N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine is sourced from PubChem (CID 166827931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).