N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine

C10H21NO — CID 165458731

IUPACN-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine
SMILESCCNCC1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H21NO/c1-4-11-7-10-5-8(2)12-9(3)6-10/h8-11H,4-7H2,1-3H3/t8-,9+,10?
InChIKeyYEFGZNNANAQZBY-ULKQDVFKSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds3

About N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine

N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine (PubChem CID 165458731) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine
PubChem CID165458731
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine
SMILESCCNCC1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H21NO/c1-4-11-7-10-5-8(2)12-9(3)6-10/h8-11H,4-7H2,1-3H3/t8-,9+,10?
InChIKeyYEFGZNNANAQZBY-ULKQDVFKSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine 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

[(2R)-2,6-dimethyloxan-4-yl]methanol
CID 69262648
2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid
CID 154927365
ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate
CID 58938909
N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 124854325
N-(cyclobutylmethyl)ethanamine;ethane
CID 171530006
1-[[(2S,6S)-2,6-dimethyloxan-4-yl]methyl]-3-[(1,1-dioxothian-4-yl)methyl]urea
CID 100686703
1-[(2,6-dimethyloxan-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine
CID 120679848
N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine
CID 59861687
(2R,6R)-4-chloro-2,6-dimethyloxane
CID 124564332
N-[(4-fluorocyclohexyl)methyl]ethanamine
CID 143499030
(2R)-2,4-diethyl-6-methyloxane
CID 142157327
(2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine
CID 97358274

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine (CID 165458731) is N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine is CCNCC1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine?
The InChIKey is YEFGZNNANAQZBY-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-11-7-10-5-8(2)12-9(3)6-10/h8-11H,4-7H2,1-3H3/t8-,9+,10?.
What are the key properties of N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine?
N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 165458731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).