1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine

C17H32N2O — CID 102647750

IUPAC1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCCNC(C1=CCCCO1)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H32N2O/c1-4-13-18-16(15-10-6-9-14-20-15)17(19(2)3)11-7-5-8-12-17/h10,16,18H,4-9,11-14H2,1-3H3
InChIKeyAZUKTZJFICKFEN-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.31
Rot. Bonds6

About 1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine

1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 102647750) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID102647750
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCCNC(C1=CCCCO1)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H32N2O/c1-4-13-18-16(15-10-6-9-14-20-15)17(19(2)3)11-7-5-8-12-17/h10,16,18H,4-9,11-14H2,1-3H3
InChIKeyAZUKTZJFICKFEN-UHFFFAOYSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102651857
1-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-diethylcyclopentan-1-amine
CID 102651843
1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 102651868
N-[3,4-dihydro-2H-pyran-6-yl-(1-pyrrolidin-1-ylcyclopentyl)methyl]propan-1-amine
CID 102647740
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 102648121
N-[3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 102648125
1-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 102647756
1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106653712
1-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102651855
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79080475
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79069851

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine (CID 102647750) is 1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine is CCCNC(C1=CCCCO1)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is AZUKTZJFICKFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-13-18-16(15-10-6-9-14-20-15)17(19(2)3)11-7-5-8-12-17/h10,16,18H,4-9,11-14H2,1-3H3.
What are the key properties of 1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 102647750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).