N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine

C16H31N3O — CID 102647972

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CN(C)CCCN1C
InChIInChI=1S/C16H31N3O/c1-4-9-17-16(15-8-5-6-12-20-15)14-13-18(2)10-7-11-19(14)3/h8,14,16-17H,4-7,9-13H2,1-3H3
InChIKeyUUSJLHYNTRQPHD-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.68
Rot. Bonds5

About N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine

N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine (PubChem CID 102647972) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine
PubChem CID102647972
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CN(C)CCCN1C
InChIInChI=1S/C16H31N3O/c1-4-9-17-16(15-8-5-6-12-20-15)14-13-18(2)10-7-11-19(14)3/h8,14,16-17H,4-7,9-13H2,1-3H3
InChIKeyUUSJLHYNTRQPHD-UHFFFAOYSA-N
XLogP1.68
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102648915
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647507
N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647597
N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647609
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 79658946
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 102647694
N-[3,4-dihydro-2H-chromen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647613
1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine
CID 102649291
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-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 102648002

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine (CID 102647972) is N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1CN(C)CCCN1C.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine?
The InChIKey is UUSJLHYNTRQPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-9-17-16(15-8-5-6-12-20-15)14-13-18(2)10-7-11-19(14)3/h8,14,16-17H,4-7,9-13H2,1-3H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 102647972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).