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

C9H17NO — CID 115741753

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine
SMILESCC(C)NCC1=CCCOC1
InChIInChI=1S/C9H17NO/c1-8(2)10-6-9-4-3-5-11-7-9/h4,8,10H,3,5-7H2,1-2H3
InChIKeyYFCMTGUSLPRDLE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds3

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine (PubChem CID 115741753) 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-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine
PubChem CID115741753
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine
SMILESCC(C)NCC1=CCCOC1
InChIInChI=1S/C9H17NO/c1-8(2)10-6-9-4-3-5-11-7-9/h4,8,10H,3,5-7H2,1-2H3
InChIKeyYFCMTGUSLPRDLE-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
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

(6-Methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl fluoride
CID 54084079
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-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine
CID 20806715
(6-Methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride
CID 54523476
N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 123449523
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine
CID 170083666
[(5,6-dihydro-2H-pyran-3-yl)methyl](methyl)amine
CID 53399302
3-(3-methylbut-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342601
5-ethoxy-N-propan-2-ylpent-3-en-1-amine
CID 79591339
N-propan-2-yl-5-propoxypent-3-en-1-amine
CID 79591616

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine (CID 115741753) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine is CC(C)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine?
The InChIKey is YFCMTGUSLPRDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)10-6-9-4-3-5-11-7-9/h4,8,10H,3,5-7H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 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)propan-2-amine is sourced from PubChem (CID 115741753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).