1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine

C10H19NO — CID 102647130

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1=CCCCO1
InChIInChI=1S/C10H19NO/c1-8(2)7-9(11)10-5-3-4-6-12-10/h5,8-9H,3-4,6-7,11H2,1-2H3
InChIKeyWFNXILRRZMPEOZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.05
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine (PubChem CID 102647130) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine
PubChem CID102647130
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1=CCCCO1
InChIInChI=1S/C10H19NO/c1-8(2)7-9(11)10-5-3-4-6-12-10/h5,8-9H,3-4,6-7,11H2,1-2H3
InChIKeyWFNXILRRZMPEOZ-UHFFFAOYSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine 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

2-Butoxy-4-fluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 68244552
2-Ethoxy-5-methylhex-1-en-3-amine
CID 88997329
(1R)-1-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine
CID 89017377
(1R)-2-methyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017392
(1R)-2-methyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89073393
6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine
CID 123788725
(Z)-2-methyl-4-prop-1-en-2-yloxyhex-4-en-3-amine
CID 142180393
(S)-cyclopropyl(2,3-dihydrofuran-5-yl)methanamine
CID 142180780
(Z)-4-ethoxy-2-methylhex-4-en-3-amine
CID 142810073
(Z,3R)-4-ethoxyhex-4-en-3-amine
CID 142810338
(Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine
CID 142810533
ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine
CID 142856850

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine (CID 102647130) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine is CC(C)CC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine?
The InChIKey is WFNXILRRZMPEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)7-9(11)10-5-3-4-6-12-10/h5,8-9H,3-4,6-7,11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 102647130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).