3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine

C13H27NO — CID 115920350

IUPAC3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine
SMILESCCC(C)(CC)NC(C)C1CCOCC1
InChIInChI=1S/C13H27NO/c1-5-13(4,6-2)14-11(3)12-7-9-15-10-8-12/h11-12,14H,5-10H2,1-4H3
InChIKeySFJHGSKYYDTVRY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds5

About 3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine

3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine (PubChem CID 115920350) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine
PubChem CID115920350
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine
SMILESCCC(C)(CC)NC(C)C1CCOCC1
InChIInChI=1S/C13H27NO/c1-5-13(4,6-2)14-11(3)12-7-9-15-10-8-12/h11-12,14H,5-10H2,1-4H3
InChIKeySFJHGSKYYDTVRY-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclohexylethylamino)-3-methylpentan-1-ol
CID 115921126
3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol
CID 115921108
3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine
CID 115685650
4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114285687
2-ethyl-1-(oxan-4-yl)butane-1,2-diol
CID 103449502
4-(3,3-dimethylbutan-2-yl)oxane
CID 58260872
N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
CID 115893382
1-ethyl-N-[1-(oxan-4-yl)ethyl]cyclobutan-1-amine
CID 115920864
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800
2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114115162
N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine
CID 103902201

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine?
The IUPAC name of 3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine (CID 115920350) is 3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine.
What is the SMILES notation for 3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine?
The canonical SMILES for 3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine is CCC(C)(CC)NC(C)C1CCOCC1.
What is the InChIKey of 3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine?
The InChIKey is SFJHGSKYYDTVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-13(4,6-2)14-11(3)12-7-9-15-10-8-12/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine?
3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 115920350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).