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

C9H17NO — CID 62065418

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CCC=CO1
InChIInChI=1S/C9H17NO/c1-8(2)10-7-9-5-3-4-6-11-9/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeyCISAMGWQBPRDIQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.68
Rot. Bonds3

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine (PubChem CID 62065418) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
PubChem CID62065418
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CCC=CO1
InChIInChI=1S/C9H17NO/c1-8(2)10-7-9-5-3-4-6-11-9/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeyCISAMGWQBPRDIQ-UHFFFAOYSA-N
XLogP1.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine (CID 62065418) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine is CC(C)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine?
The InChIKey is CISAMGWQBPRDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)10-7-9-5-3-4-6-11-9/h4,6,8-10H,3,5,7H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.68, 3 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-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 62065418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).