N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine

C12H23NO — CID 105022122

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCC1CCC=CO1
InChIInChI=1S/C12H23NO/c1-4-12(2,3)10-13-9-11-7-5-6-8-14-11/h6,8,11,13H,4-5,7,9-10H2,1-3H3
InChIKeyWPYBYTIQHKCUIY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.70
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine (PubChem CID 105022122) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine
PubChem CID105022122
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCC1CCC=CO1
InChIInChI=1S/C12H23NO/c1-4-12(2,3)10-13-9-11-7-5-6-8-14-11/h6,8,11,13H,4-5,7,9-10H2,1-3H3
InChIKeyWPYBYTIQHKCUIY-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-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

5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 107095327
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720114
3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine
CID 107094618
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 62066733
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 62064917
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide
CID 107094808
2-amino-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropanamide
CID 130964270
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide
CID 130783856
N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine
CID 103461370
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol
CID 65116457
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
CID 62064941
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 107095396

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine (CID 105022122) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine?
The InChIKey is WPYBYTIQHKCUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-12(2,3)10-13-9-11-7-5-6-8-14-11/h6,8,11,13H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 105022122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).