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

C14H27NO — CID 102648967

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(C1=CCCCO1)C(C)CCC
InChIInChI=1S/C14H27NO/c1-4-8-12(3)14(15-10-5-2)13-9-6-7-11-16-13/h9,12,14-15H,4-8,10-11H2,1-3H3
InChIKeyIIDQSZSJRKAABF-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.49
Rot. Bonds7

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpentan-1-amine (PubChem CID 102648967) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpentan-1-amine
PubChem CID102648967
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(C1=CCCCO1)C(C)CCC
InChIInChI=1S/C14H27NO/c1-4-8-12(3)14(15-10-5-2)13-9-6-7-11-16-13/h9,12,14-15H,4-8,10-11H2,1-3H3
InChIKeyIIDQSZSJRKAABF-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorocyclohexen-1-yl)oxy-N-[(4-methylcyclohex-3-en-1-yl)methyl]ethanamine
CID 69627092
5-(Fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine
CID 90736308
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102648944
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649283
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634
1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652898
N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653779
N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653789
1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 113720496
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 113720622
1-(3,3-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 114215980
N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 114216076

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpentan-1-amine (CID 102648967) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpentan-1-amine is CCCNC(C1=CCCCO1)C(C)CCC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is IIDQSZSJRKAABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-8-12(3)14(15-10-5-2)13-9-6-7-11-16-13/h9,12,14-15H,4-8,10-11H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpentan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.49, 7 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)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 102648967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).