(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane

C12H25NO — CID 177009350

IUPAC(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane
SMILESCC.CCN[C@H]1C(CC)=CCO[C@H]1C
InChIInChI=1S/C10H19NO.C2H6/c1-4-9-6-7-12-8(3)10(9)11-5-2;1-2/h6,8,10-11H,4-5,7H2,1-3H3;1-2H3/t8-,10+;/m0./s1
InChIKeyRGLVKODMKUGOCV-KXNXZCPBSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds3

About (2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane

(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane (PubChem CID 177009350) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane.

Molecular Properties

Compound Name(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane
PubChem CID177009350
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane
SMILESCC.CCN[C@H]1C(CC)=CCO[C@H]1C
InChIInChI=1S/C10H19NO.C2H6/c1-4-9-6-7-12-8(3)10(9)11-5-2;1-2/h6,8,10-11H,4-5,7H2,1-3H3;1-2H3/t8-,10+;/m0./s1
InChIKeyRGLVKODMKUGOCV-KXNXZCPBSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,6R)-4-methyl-2-pentan-3-yloxy-7-azabicyclo[4.1.0]hept-3-ene
CID 59949976
2-[(E)-hept-3-en-4-yl]morpholine
CID 68588038
2-Hept-3-en-4-ylmorpholine
CID 68588043
2-[(E)-oct-3-en-4-yl]morpholine
CID 68588523
2-Oct-3-en-4-ylmorpholine
CID 68588529
2-[(E)-hex-3-en-3-yl]morpholine
CID 68590550
2-Hex-3-en-3-ylmorpholine
CID 68590552
(1S,2R,3R)-3-pentan-3-yloxy-1-N-prop-2-enylcyclohex-4-ene-1,2-diamine
CID 70024133
N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine
CID 70997088
(Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine
CID 126489743
(2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine
CID 129015398
2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine
CID 129055713

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane?
The IUPAC name of (2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane (CID 177009350) is (2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane.
What is the SMILES notation for (2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane?
The canonical SMILES for (2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane is CC.CCN[C@H]1C(CC)=CCO[C@H]1C.
What is the InChIKey of (2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane?
The InChIKey is RGLVKODMKUGOCV-KXNXZCPBSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-4-9-6-7-12-8(3)10(9)11-5-2;1-2/h6,8,10-11H,4-5,7H2,1-3H3;1-2H3/t8-,10+;/m0./s1.
What are the key properties of (2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane?
(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane has a molecular weight of 199.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane is sourced from PubChem (CID 177009350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).