1-(oxan-4-yl)propan-2-amine

C8H17NO — CID 21054632

IUPAC1-(oxan-4-yl)propan-2-amine
SMILESCC(N)CC1CCOCC1
InChIInChI=1S/C8H17NO/c1-7(9)6-8-2-4-10-5-3-8/h7-8H,2-6,9H2,1H3
InChIKeyPTJCOUYZLVVANE-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds2

About 1-(oxan-4-yl)propan-2-amine

1-(oxan-4-yl)propan-2-amine (PubChem CID 21054632) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(oxan-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)propan-2-amine
PubChem CID21054632
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(oxan-4-yl)propan-2-amine
SMILESCC(N)CC1CCOCC1
InChIInChI=1S/C8H17NO/c1-7(9)6-8-2-4-10-5-3-8/h7-8H,2-6,9H2,1H3
InChIKeyPTJCOUYZLVVANE-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
(2S)-1-cyclobutylpropan-2-amine
CID 66713874
(2R)-1-cyclobutylpropan-2-amine
CID 124506916
3-methyl-1-(oxan-4-yl)pentan-2-amine
CID 63716846
2-methylpropylcyclobutane;4-(2-methylpropyl)oxane
CID 157070530
1-(oxan-3-yl)propan-2-amine
CID 63737520
(2S)-1-(4-methylcyclohexyl)propan-2-amine
CID 163792436
1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 62604163
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
(2R)-N-chloro-1-(oxan-4-yl)propan-2-amine
CID 90382614
1-cyclohexyl-2-(oxan-4-yl)ethanamine
CID 62600303
1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine
CID 115846609

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)propan-2-amine?
The IUPAC name of 1-(oxan-4-yl)propan-2-amine (CID 21054632) is 1-(oxan-4-yl)propan-2-amine.
What is the SMILES notation for 1-(oxan-4-yl)propan-2-amine?
The canonical SMILES for 1-(oxan-4-yl)propan-2-amine is CC(N)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)propan-2-amine?
The InChIKey is PTJCOUYZLVVANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(9)6-8-2-4-10-5-3-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 1-(oxan-4-yl)propan-2-amine?
1-(oxan-4-yl)propan-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)propan-2-amine is sourced from PubChem (CID 21054632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).