N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine

C12H25NO — CID 169307485

IUPACN-methyl-N-(oxocan-4-ylmethyl)propan-1-amine
SMILESCCCN(C)CC1CCCCOCC1
InChIInChI=1S/C12H25NO/c1-3-8-13(2)11-12-6-4-5-9-14-10-7-12/h12H,3-11H2,1-2H3
InChIKeyMURKHTGOZWGFGP-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.54
Rot. Bonds4

About N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine

N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine (PubChem CID 169307485) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(oxocan-4-ylmethyl)propan-1-amine
PubChem CID169307485
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-methyl-N-(oxocan-4-ylmethyl)propan-1-amine
SMILESCCCN(C)CC1CCCCOCC1
InChIInChI=1S/C12H25NO/c1-3-8-13(2)11-12-6-4-5-9-14-10-7-12/h12H,3-11H2,1-2H3
InChIKeyMURKHTGOZWGFGP-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63707526
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668
N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115262142
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027
N',N'-dimethyl-N-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]ethane-1,2-diamine
CID 63707354
3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine
CID 63712799
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
4-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239955

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine?
The IUPAC name of N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine (CID 169307485) is N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine is CCCN(C)CC1CCCCOCC1.
What is the InChIKey of N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine?
The InChIKey is MURKHTGOZWGFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-8-13(2)11-12-6-4-5-9-14-10-7-12/h12H,3-11H2,1-2H3.
What are the key properties of N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine?
N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 169307485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).