N-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

C10H20N2O — CID 78909236

IUPACN-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCOCC(C)NC1=NCCCCC1
InChIInChI=1S/C10H20N2O/c1-9(8-13-2)12-10-6-4-3-5-7-11-10/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyUTHLVOAJPUQNQF-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.58
Rot. Bonds3

About N-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 78909236) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID78909236
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCOCC(C)NC1=NCCCCC1
InChIInChI=1S/C10H20N2O/c1-9(8-13-2)12-10-6-4-3-5-7-11-10/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyUTHLVOAJPUQNQF-UHFFFAOYSA-N
XLogP1.58
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 78909236) is N-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is COCC(C)NC1=NCCCCC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is UTHLVOAJPUQNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(8-13-2)12-10-6-4-3-5-7-11-10/h9H,3-8H2,1-2H3,(H,11,12).
What are the key properties of N-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 184.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 78909236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).