N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine

C9H15NO — CID 115678446

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine
SMILESC1=C(CNC2CC2)COCC1
InChIInChI=1S/C9H15NO/c1-2-8(7-11-5-1)6-10-9-3-4-9/h2,9-10H,1,3-7H2
InChIKeyLUUOISKSEKBRKQ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.09
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine (PubChem CID 115678446) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine
PubChem CID115678446
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine
SMILESC1=C(CNC2CC2)COCC1
InChIInChI=1S/C9H15NO/c1-2-8(7-11-5-1)6-10-9-3-4-9/h2,9-10H,1,3-7H2
InChIKeyLUUOISKSEKBRKQ-UHFFFAOYSA-N
XLogP1.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
[(5,6-dihydro-2H-pyran-3-yl)methyl](methyl)amine
CID 53399302
N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine
CID 79598630
5-ethoxy-4-methyl-N-propan-2-ylpent-3-en-1-amine
CID 79599523
4-methyl-N-propan-2-yl-5-propoxypent-3-en-1-amine
CID 79599526
N-(4-methyl-5-propan-2-yloxypent-3-enyl)cyclopropanamine
CID 79599787
N-(5-ethoxy-4-methylpent-3-enyl)cyclopropanamine
CID 79606881
N-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine
CID 79607035
5-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716074
5-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716252
N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074245

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine (CID 115678446) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine is C1=C(CNC2CC2)COCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine?
The InChIKey is LUUOISKSEKBRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-8(7-11-5-1)6-10-9-3-4-9/h2,9-10H,1,3-7H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopropanamine has a molecular weight of 153.22 g/mol, XLogP of 1.09, 3 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)cyclopropanamine is sourced from PubChem (CID 115678446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).