1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine

C13H25NO — CID 102647188

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)C1=CCCCO1
InChIInChI=1S/C13H25NO/c1-4-8-14-12(10-11(2)3)13-7-5-6-9-15-13/h7,11-12,14H,4-6,8-10H2,1-3H3
InChIKeyVZOAZXSMOUJFBS-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.10
Rot. Bonds6

About 1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine (PubChem CID 102647188) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine
PubChem CID102647188
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)C1=CCCCO1
InChIInChI=1S/C13H25NO/c1-4-8-14-12(10-11(2)3)13-7-5-6-9-15-13/h7,11-12,14H,4-6,8-10H2,1-3H3
InChIKeyVZOAZXSMOUJFBS-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine
CID 90736308
2-But-3-en-2-yl-5-(2,2-difluorobutoxy)-1,2,3,6-tetrahydropyridine
CID 91029455
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 102647827
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
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312383
(3R)-6-(ethylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 68111938
N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine
CID 90981708
3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
CID 91112845
1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine
CID 91173904
1-cyclohexa-2,4-dien-1-yl-3-ethoxy-N-methylbut-3-en-2-amine
CID 91280117
6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 123446575

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine (CID 102647188) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)C)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is VZOAZXSMOUJFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-8-14-12(10-11(2)3)13-7-5-6-9-15-13/h7,11-12,14H,4-6,8-10H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 102647188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).