N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine

C9H17NO — CID 115674325

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine
SMILESCCCNCC1=CCCOC1
InChIInChI=1S/C9H17NO/c1-2-5-10-7-9-4-3-6-11-8-9/h4,10H,2-3,5-8H2,1H3
InChIKeyQCUUGDUPRHBVLY-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds4

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine (PubChem CID 115674325) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine
PubChem CID115674325
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine
SMILESCCCNCC1=CCCOC1
InChIInChI=1S/C9H17NO/c1-2-5-10-7-9-4-3-6-11-8-9/h4,10H,2-3,5-8H2,1H3
InChIKeyQCUUGDUPRHBVLY-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 14442217
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 115741802
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 115742219
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
CID 115742343
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 115757862
1,2,3,6-Tetrahydropyridin-5-ylmethyl acetate
CID 21710524
(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine
CID 130330265
1-(3,6-dihydro-2H-pyran-4-yl)-N-methylmethanamine
CID 130900413
N-[2-(3,6-dihydro-2H-pyran-5-yl)ethyl]-3,3-dimethylbutan-1-amine;molecular hydrogen
CID 143543963
6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine
CID 143591895
(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine
CID 144608616
methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
CID 153439808

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine (CID 115674325) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine is CCCNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine?
The InChIKey is QCUUGDUPRHBVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-5-10-7-9-4-3-6-11-8-9/h4,10H,2-3,5-8H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 115674325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).