1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine

C17H33NO — CID 105033094

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)C1=COCCC1
InChIInChI=1S/C17H33NO/c1-3-5-6-7-8-9-12-17(18-13-4-2)16-11-10-14-19-15-16/h15,17-18H,3-14H2,1-2H3
InChIKeyQQBFBBJKNONNOL-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.80
Rot. Bonds11

About 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine (PubChem CID 105033094) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine
PubChem CID105033094
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)C1=COCCC1
InChIInChI=1S/C17H33NO/c1-3-5-6-7-8-9-12-17(18-13-4-2)16-11-10-14-19-15-16/h15,17-18H,3-14H2,1-2H3
InChIKeyQQBFBBJKNONNOL-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.80
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

1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine
CID 105033323
1-(3,4-dihydro-2H-pyran-5-yl)heptylhydrazine
CID 105333276
1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine
CID 105179221
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine
CID 116660937
N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 116662001
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105179290
N-[6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033146
1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine
CID 102653741
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine
CID 116717301
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105033129
1-(2,3,4,5,6-pentafluorophenyl)-N-propylhexan-1-amine
CID 115837064
1-(cyclohexen-1-yl)-N-ethyloctan-1-amine
CID 63506129

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine (CID 105033094) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine is CCCCCCCCC(NCCC)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine?
The InChIKey is QQBFBBJKNONNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-5-6-7-8-9-12-17(18-13-4-2)16-11-10-14-19-15-16/h15,17-18H,3-14H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.80, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine is sourced from PubChem (CID 105033094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).