N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine

C10H21NO2 — CID 4712138

IUPACN-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC1OCCCCO1
InChIInChI=1S/C10H21NO2/c1-9(2)7-11-8-10-12-5-3-4-6-13-10/h9-11H,3-8H2,1-2H3
InChIKeyAEBZGLZVBBWGNE-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.39
Rot. Bonds4

About N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine

N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine (PubChem CID 4712138) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine
PubChem CID4712138
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC1OCCCCO1
InChIInChI=1S/C10H21NO2/c1-9(2)7-11-8-10-12-5-3-4-6-13-10/h9-11H,3-8H2,1-2H3
InChIKeyAEBZGLZVBBWGNE-UHFFFAOYSA-N
XLogP1.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diethoxyethyl)butan-1-amine
CID 12502860
N-(2,2-Diethoxyethyl)propan-1-amine
CID 13175518
(2,2-Dimethoxyethyl)(2-methylpropyl)amine
CID 58168465
N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine
CID 59290437
N-(2,2-Diethoxyethyl)-2-methylpropan-1-amine
CID 78911333
N-(2,2-diethoxyethyl)-3-methylbutan-1-amine
CID 78912157
N-(2,2-diethoxyethyl)-2-methylbutan-1-amine
CID 79547519
N-(2,2-diethoxyethyl)-3-ethoxypropan-1-amine
CID 81093061
N-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine
CID 88736108
ethane;N-ethyl-2-(1-methoxypropoxy)ethanamine;molecular hydrogen
CID 145508296
N-(1-ethoxy-1-methoxypropan-2-yl)-2-methylpropan-1-amine
CID 154327024
N-(2,2-diethoxyethyl)propan-1-amine;propan-1-amine
CID 161310262

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine (CID 4712138) is N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine is CC(C)CNCC1OCCCCO1.
What is the InChIKey of N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is AEBZGLZVBBWGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)7-11-8-10-12-5-3-4-6-13-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine?
N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 4712138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).