(2R)-N-chloro-1-(oxan-4-yl)propan-2-amine

C8H16ClNO — CID 90382614

IUPAC(2R)-N-chloro-1-(oxan-4-yl)propan-2-amine
SMILESC[C@H](CC1CCOCC1)NCl
InChIInChI=1S/C8H16ClNO/c1-7(10-9)6-8-2-4-11-5-3-8/h7-8,10H,2-6H2,1H3/t7-/m1/s1
InChIKeyLQDVUAHPQCPSBU-SSDOTTSWSA-N
MW177.67 g/mol
LogP1.93
Rot. Bonds3

About (2R)-N-chloro-1-(oxan-4-yl)propan-2-amine

(2R)-N-chloro-1-(oxan-4-yl)propan-2-amine (PubChem CID 90382614) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is (2R)-N-chloro-1-(oxan-4-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-chloro-1-(oxan-4-yl)propan-2-amine
PubChem CID90382614
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name(2R)-N-chloro-1-(oxan-4-yl)propan-2-amine
SMILESC[C@H](CC1CCOCC1)NCl
InChIInChI=1S/C8H16ClNO/c1-7(10-9)6-8-2-4-11-5-3-8/h7-8,10H,2-6H2,1H3/t7-/m1/s1
InChIKeyLQDVUAHPQCPSBU-SSDOTTSWSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[1-(oxan-4-yl)propan-2-yl]cyclopentanamine
CID 115704973
N-(1-cyclopropylpropan-2-yl)oxan-4-amine
CID 63989117
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632
(2S)-3-methyl-2-[1-(oxan-4-yl)propan-2-ylamino]butan-1-ol
CID 103788127
2-methylpropylcyclobutane;4-(2-methylpropyl)oxane
CID 157070530
N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine
CID 115720867
2-methyl-3-(oxan-4-yl)-N-propan-2-ylpropan-1-amine
CID 62529489
N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine
CID 115892176
N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine
CID 62530286
methyl 2-methyl-3-(oxan-4-yl)propanoate
CID 67765970
[3,4-dimethyl-1-(oxan-4-yl)pentan-2-yl]hydrazine
CID 105298895

Frequently Asked Questions

What is the IUPAC name of (2R)-N-chloro-1-(oxan-4-yl)propan-2-amine?
The IUPAC name of (2R)-N-chloro-1-(oxan-4-yl)propan-2-amine (CID 90382614) is (2R)-N-chloro-1-(oxan-4-yl)propan-2-amine.
What is the SMILES notation for (2R)-N-chloro-1-(oxan-4-yl)propan-2-amine?
The canonical SMILES for (2R)-N-chloro-1-(oxan-4-yl)propan-2-amine is C[C@H](CC1CCOCC1)NCl.
What is the InChIKey of (2R)-N-chloro-1-(oxan-4-yl)propan-2-amine?
The InChIKey is LQDVUAHPQCPSBU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-7(10-9)6-8-2-4-11-5-3-8/h7-8,10H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-N-chloro-1-(oxan-4-yl)propan-2-amine?
(2R)-N-chloro-1-(oxan-4-yl)propan-2-amine has a molecular weight of 177.67 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-chloro-1-(oxan-4-yl)propan-2-amine is sourced from PubChem (CID 90382614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).