N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine

C12H23NO — CID 90981708

IUPACN-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine
SMILESCCCCCNCC1=CCC(C)CO1
InChIInChI=1S/C12H23NO/c1-3-4-5-8-13-9-12-7-6-11(2)10-14-12/h7,11,13H,3-6,8-10H2,1-2H3
InChIKeyWPNAEHPSLKTXMC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.71
Rot. Bonds6

About N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine

N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine (PubChem CID 90981708) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine
PubChem CID90981708
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine
SMILESCCCCCNCC1=CCC(C)CO1
InChIInChI=1S/C12H23NO/c1-3-4-5-8-13-9-12-7-6-11(2)10-14-12/h7,11,13H,3-6,8-10H2,1-2H3
InChIKeyWPNAEHPSLKTXMC-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
6-[(hexylamino)methyl]-1,3-benzodioxol-5-ol
CID 55012501
6-[(octylamino)methyl]-1,3-benzodioxol-5-ol
CID 78916444
N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine
CID 60691345
N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
CID 106009218
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pentan-1-amine
CID 43583339
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine?
The IUPAC name of N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine (CID 90981708) is N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine?
The canonical SMILES for N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine is CCCCCNCC1=CCC(C)CO1.
What is the InChIKey of N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine?
The InChIKey is WPNAEHPSLKTXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-5-8-13-9-12-7-6-11(2)10-14-12/h7,11,13H,3-6,8-10H2,1-2H3.
What are the key properties of N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine?
N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine is sourced from PubChem (CID 90981708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).