(2R)-1-(oxan-4-yl)pentan-2-amine

C10H21NO — CID 59378410

IUPAC(2R)-1-(oxan-4-yl)pentan-2-amine
SMILESCCC[C@@H](N)CC1CCOCC1
InChIInChI=1S/C10H21NO/c1-2-3-10(11)8-9-4-6-12-7-5-9/h9-10H,2-8,11H2,1H3/t10-/m1/s1
InChIKeyADLCEUXBFRMXHS-SNVBAGLBSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds4

About (2R)-1-(oxan-4-yl)pentan-2-amine

(2R)-1-(oxan-4-yl)pentan-2-amine (PubChem CID 59378410) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2R)-1-(oxan-4-yl)pentan-2-amine.

Molecular Properties

Compound Name(2R)-1-(oxan-4-yl)pentan-2-amine
PubChem CID59378410
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2R)-1-(oxan-4-yl)pentan-2-amine
SMILESCCC[C@@H](N)CC1CCOCC1
InChIInChI=1S/C10H21NO/c1-2-3-10(11)8-9-4-6-12-7-5-9/h9-10H,2-8,11H2,1H3/t10-/m1/s1
InChIKeyADLCEUXBFRMXHS-SNVBAGLBSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Propan-2-yl)oxan-4-amine
CID 46785833
4-(Methoxymethyl)cyclohexan-1-amine
CID 55284813
4-(Oxan-4-yl)butan-2-amine
CID 62386259
2-(2-Methylpropyl)oxan-4-amine
CID 64104920
1-(Oxan-4-yl)propan-2-amine hydrochloride
CID 68720808
1-(Oxan-3-yl)ethan-1-amine hydrochloride
CID 71758531
1-(Oxan-4-yl)propan-2-amine
CID 21054632
1-(Oxan-3-yl)ethan-1-amine
CID 65331750
2-(Pentan-3-yl)oxan-4-amine
CID 64106641
1-(Oxan-3-yl)propan-1-amine
CID 65332455
1-(4-Ethoxycyclohexyl)ethan-1-amine hydrochloride
CID 154842558
3-(Cyclohexylmethyl)oxan-4-amine hydrochloride
CID 165900997

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(oxan-4-yl)pentan-2-amine?
The IUPAC name of (2R)-1-(oxan-4-yl)pentan-2-amine (CID 59378410) is (2R)-1-(oxan-4-yl)pentan-2-amine.
What is the SMILES notation for (2R)-1-(oxan-4-yl)pentan-2-amine?
The canonical SMILES for (2R)-1-(oxan-4-yl)pentan-2-amine is CCC[C@@H](N)CC1CCOCC1.
What is the InChIKey of (2R)-1-(oxan-4-yl)pentan-2-amine?
The InChIKey is ADLCEUXBFRMXHS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-10(11)8-9-4-6-12-7-5-9/h9-10H,2-8,11H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-1-(oxan-4-yl)pentan-2-amine?
(2R)-1-(oxan-4-yl)pentan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(oxan-4-yl)pentan-2-amine is sourced from PubChem (CID 59378410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).