1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine

C10H21NO2 — CID 65352415

IUPAC1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine
SMILESCCCCC(NC)C1COCCO1
InChIInChI=1S/C10H21NO2/c1-3-4-5-9(11-2)10-8-12-6-7-13-10/h9-11H,3-8H2,1-2H3
InChIKeyQADKJFGZCVRSPT-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.18
Rot. Bonds5

About 1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine

1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine (PubChem CID 65352415) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine
PubChem CID65352415
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine
SMILESCCCCC(NC)C1COCCO1
InChIInChI=1S/C10H21NO2/c1-3-4-5-9(11-2)10-8-12-6-7-13-10/h9-11H,3-8H2,1-2H3
InChIKeyQADKJFGZCVRSPT-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]piperidine
CID 44276259
3-((Oxolan-2-yl)methyl)morpholine
CID 132327636
(Oxan-2-ylmethyl)(propan-2-yl)amine
CID 239652
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102730
2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102913
1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 65352441
1-(1,4-dioxan-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 65352875
1-(1,4-dioxan-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 65352989
N-[2-(2,2-difluoroethoxy)ethyl]-2-propyloxan-4-amine
CID 103080941
N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyloxan-4-amine
CID 105906075
1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 112703963
1-(1,4-dioxan-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 113327068

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine (CID 65352415) is 1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine is CCCCC(NC)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine?
The InChIKey is QADKJFGZCVRSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-5-9(11-2)10-8-12-6-7-13-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine?
1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 65352415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).