N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine

C14H29NO2 — CID 62486898

IUPACN-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine
SMILESCCC(CNCC(C)C)OCC1CCOCC1
InChIInChI=1S/C14H29NO2/c1-4-14(10-15-9-12(2)3)17-11-13-5-7-16-8-6-13/h12-15H,4-11H2,1-3H3
InChIKeyNRYZEKUDXWCIKY-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.45
Rot. Bonds8

About N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine

N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine (PubChem CID 62486898) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine
PubChem CID62486898
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine
SMILESCCC(CNCC(C)C)OCC1CCOCC1
InChIInChI=1S/C14H29NO2/c1-4-14(10-15-9-12(2)3)17-11-13-5-7-16-8-6-13/h12-15H,4-11H2,1-3H3
InChIKeyNRYZEKUDXWCIKY-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethoxy)-N-(2-methylpropyl)butan-1-amine
CID 66322283
2-(cyclopropylmethoxy)-N-ethylbutan-1-amine
CID 62457065
3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
CID 103228633
2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
CID 62484584
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62457054
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238
3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 81018894
2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine
CID 55107237
(2S)-3-methyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 68721418
2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62486524

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine (CID 62486898) is N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine is CCC(CNCC(C)C)OCC1CCOCC1.
What is the InChIKey of N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine?
The InChIKey is NRYZEKUDXWCIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-14(10-15-9-12(2)3)17-11-13-5-7-16-8-6-13/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine?
N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine is sourced from PubChem (CID 62486898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).