N-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine

C9H17NO — CID 102647459

IUPACN-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine
SMILESCCCNCC1=CCCCO1
InChIInChI=1S/C9H17NO/c1-2-6-10-8-9-5-3-4-7-11-9/h5,10H,2-4,6-8H2,1H3
InChIKeyBHTFBDWSXSMYSN-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.68
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine

N-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine (PubChem CID 102647459) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine
PubChem CID102647459
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine
SMILESCCCNCC1=CCCCO1
InChIInChI=1S/C9H17NO/c1-2-6-10-8-9-5-3-4-7-11-9/h5,10H,2-4,6-8H2,1H3
InChIKeyBHTFBDWSXSMYSN-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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-[(2R,3R)-3-fluoro-2-methyl-3,4-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 60076878
4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine
CID 174310276
4-(3-Methylpropylidenemorpholinium) chloride
CID 146018388
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 102647259
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 102647260
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 102647261
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 102647828
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 102647829
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)-N-ethyl-2,2,2-trifluoroethanamine
CID 102649349
1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 102651354
1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148720

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine (CID 102647459) is N-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine is CCCNCC1=CCCCO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine?
The InChIKey is BHTFBDWSXSMYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-6-10-8-9-5-3-4-7-11-9/h5,10H,2-4,6-8H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine?
N-(3,4-dihydro-2H-pyran-6-ylmethyl)propan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.68, 4 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-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 102647459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).