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

C10H19NO — CID 102647463

IUPACN-(3,4-dihydro-2H-pyran-6-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC1=CCCCO1
InChIInChI=1S/C10H19NO/c1-9(2)7-11-8-10-5-3-4-6-12-10/h5,9,11H,3-4,6-8H2,1-2H3
InChIKeyKGTNRWFKRPPLDW-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.93
Rot. Bonds4

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

N-(3,4-dihydro-2H-pyran-6-ylmethyl)-2-methylpropan-1-amine (PubChem CID 102647463) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-6-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-6-ylmethyl)-2-methylpropan-1-amine
PubChem CID102647463
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(3,4-dihydro-2H-pyran-6-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC1=CCCCO1
InChIInChI=1S/C10H19NO/c1-9(2)7-11-8-10-5-3-4-6-12-10/h5,9,11H,3-4,6-8H2,1-2H3
InChIKeyKGTNRWFKRPPLDW-UHFFFAOYSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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)-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
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)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312383
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312384
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517265
5-Methoxy-1,2,3,6-tetrahydropyridine
CID 19595117
N'-[[(3R)-3-amino-3,4-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine
CID 68047756
(3R)-6-(ethylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 68111938
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 84020565

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-6-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-6-ylmethyl)-2-methylpropan-1-amine (CID 102647463) is N-(3,4-dihydro-2H-pyran-6-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-6-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-6-ylmethyl)-2-methylpropan-1-amine is CC(C)CNCC1=CCCCO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-6-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is KGTNRWFKRPPLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)7-11-8-10-5-3-4-6-12-10/h5,9,11H,3-4,6-8H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-6-ylmethyl)-2-methylpropan-1-amine?
N-(3,4-dihydro-2H-pyran-6-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.93, 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)-2-methylpropan-1-amine is sourced from PubChem (CID 102647463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).