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

C16H31NO — CID 102649370

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dipropylpentan-1-amine
SMILESCCCNC(C1=CCCCO1)C(CCC)CCC
InChIInChI=1S/C16H31NO/c1-4-9-14(10-5-2)16(17-12-6-3)15-11-7-8-13-18-15/h11,14,16-17H,4-10,12-13H2,1-3H3
InChIKeyFQXRDVVIBGQHBV-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.27
Rot. Bonds9

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

1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dipropylpentan-1-amine (PubChem CID 102649370) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dipropylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dipropylpentan-1-amine
PubChem CID102649370
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dipropylpentan-1-amine
SMILESCCCNC(C1=CCCCO1)C(CCC)CCC
InChIInChI=1S/C16H31NO/c1-4-9-14(10-5-2)16(17-12-6-3)15-11-7-8-13-18-15/h11,14,16-17H,4-10,12-13H2,1-3H3
InChIKeyFQXRDVVIBGQHBV-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dipropylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-difluorocyclohexen-1-yl)oxy-N-[(4-methylcyclohex-3-en-1-yl)methyl]ethanamine
CID 69627092
2-butan-2-yl-6-[2-(difluoromethyl)-3-methylbutoxy]-2,3,4,7-tetrahydro-1H-azepine
CID 90702232
2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine
CID 91097016
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648765
N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648859
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648887
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dipropylpentan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dipropylpentan-1-amine (CID 102649370) is 1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dipropylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dipropylpentan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dipropylpentan-1-amine is CCCNC(C1=CCCCO1)C(CCC)CCC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dipropylpentan-1-amine?
The InChIKey is FQXRDVVIBGQHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-9-14(10-5-2)16(17-12-6-3)15-11-7-8-13-18-15/h11,14,16-17H,4-10,12-13H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dipropylpentan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dipropylpentan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 4.27, 9 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)-N,2-dipropylpentan-1-amine is sourced from PubChem (CID 102649370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).