3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine

C12H25NO — CID 115685650

IUPAC3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine
SMILESCCC(C)(CC)NCC1CCOCC1
InChIInChI=1S/C12H25NO/c1-4-12(3,5-2)13-10-11-6-8-14-9-7-11/h11,13H,4-10H2,1-3H3
InChIKeyXEFQFORHFNMIQG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds5

About 3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine

3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine (PubChem CID 115685650) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine
PubChem CID115685650
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine
SMILESCCC(C)(CC)NCC1CCOCC1
InChIInChI=1S/C12H25NO/c1-4-12(3,5-2)13-10-11-6-8-14-9-7-11/h11,13H,4-10H2,1-3H3
InChIKeyXEFQFORHFNMIQG-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine
CID 65025269
N-(cyclopentylmethyl)-3-methylpentan-3-amine
CID 103746706
N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine
CID 106327957
2-(cyclopropylmethylamino)-2-methylbutan-1-ol
CID 61054003
2-methyl-2-(oxan-4-ylmethylamino)propanenitrile
CID 115129369
2-ethyl-2-(oxan-4-ylmethylamino)butanoic acid
CID 78948214
2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol
CID 115685825
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
2-methyl-N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593638
N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine
CID 131176990
3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol
CID 115763283
2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 78969295

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine?
The IUPAC name of 3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine (CID 115685650) is 3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine.
What is the SMILES notation for 3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine?
The canonical SMILES for 3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine is CCC(C)(CC)NCC1CCOCC1.
What is the InChIKey of 3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine?
The InChIKey is XEFQFORHFNMIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-12(3,5-2)13-10-11-6-8-14-9-7-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine?
3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine has a molecular weight of 199.34 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 3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine is sourced from PubChem (CID 115685650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).