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

C19H31NO — CID 102648915

IUPACN-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H31NO/c1-2-6-20-19(17-5-3-4-7-21-17)18-15-9-13-8-14(11-15)12-16(18)10-13/h5,13-16,18-20H,2-4,6-12H2,1H3
InChIKeyIFFWBVSDGHYCNH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.12
Rot. Bonds5

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

N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (PubChem CID 102648915) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
PubChem CID102648915
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H31NO/c1-2-6-20-19(17-5-3-4-7-21-17)18-15-9-13-8-14(11-15)12-16(18)10-13/h5,13-16,18-20H,2-4,6-12H2,1H3
InChIKeyIFFWBVSDGHYCNH-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647597
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647507
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine
CID 102647972
N-[3,4-dihydro-2H-chromen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647613
N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647609
N-[3,4-dihydro-2H-pyran-6-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102649355
N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine
CID 102647869
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine
CID 102647801
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103169804
N-[3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methyl]propan-1-amine
CID 102647740

Frequently Asked Questions

What is the IUPAC name of N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (CID 102648915) is N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The InChIKey is IFFWBVSDGHYCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-6-20-19(17-5-3-4-7-21-17)18-15-9-13-8-14(11-15)12-16(18)10-13/h5,13-16,18-20H,2-4,6-12H2,1H3.
What are the key properties of N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 102648915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).