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

C16H30N2O — CID 102647752

IUPAC1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCNC(C1=CCCCO1)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C16H30N2O/c1-13-8-10-16(11-9-13,18(3)4)15(17-2)14-7-5-6-12-19-14/h7,13,15,17H,5-6,8-12H2,1-4H3
InChIKeyARRIEGMHRGEJJY-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.78
Rot. Bonds4

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

1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 102647752) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID102647752
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCNC(C1=CCCCO1)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C16H30N2O/c1-13-8-10-16(11-9-13,18(3)4)15(17-2)14-7-5-6-12-19-14/h7,13,15,17H,5-6,8-12H2,1-4H3
InChIKeyARRIEGMHRGEJJY-UHFFFAOYSA-N
XLogP2.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102651855
1-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 102647756
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 102647602
N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 102648132
1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102647750
N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine
CID 79074735
1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 102648107
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107191585
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 102647624
1-[cyclohexen-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106649217
[3,4-dihydro-2H-pyran-6-yl-(1-methoxy-3-methylcyclohexyl)methyl]hydrazine
CID 102650169
1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649558

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine (CID 102647752) is 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine is CNC(C1=CCCCO1)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is ARRIEGMHRGEJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13-8-10-16(11-9-13,18(3)4)15(17-2)14-7-5-6-12-19-14/h7,13,15,17H,5-6,8-12H2,1-4H3.
What are the key properties of 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.78, 4 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(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102647752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).