N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine

C13H25NO — CID 62066141

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCC1CCC=CO1
InChIInChI=1S/C13H25NO/c1-11(2)7-8-12(3)14-10-13-6-4-5-9-15-13/h5,9,11-14H,4,6-8,10H2,1-3H3
InChIKeyWHCUARCGPNEQDV-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.09
Rot. Bonds6

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine (PubChem CID 62066141) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine
PubChem CID62066141
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCC1CCC=CO1
InChIInChI=1S/C13H25NO/c1-11(2)7-8-12(3)14-10-13-6-4-5-9-15-13/h5,9,11-14H,4,6-8,10H2,1-3H3
InChIKeyWHCUARCGPNEQDV-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 55030786
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 62064403
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 62066546
cis-(1S,2R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 94343015
trans-(1R,2R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 94343016
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-2-amine
CID 102613521
trans-(1R,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 124834367
cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 124834368
N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62065418
(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine
CID 126687218
1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane
CID 143819446
N-ethynyl-2-methyl-4-propoxyhept-6-en-3-amine
CID 146184300

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine (CID 62066141) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine is CC(C)CCC(C)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine?
The InChIKey is WHCUARCGPNEQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)7-8-12(3)14-10-13-6-4-5-9-15-13/h5,9,11-14H,4,6-8,10H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methylhexan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 3.09, 6 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)-5-methylhexan-2-amine is sourced from PubChem (CID 62066141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).