N,N-dimethyl-3-pentan-3-yloxypropan-1-amine

C10H23NO — CID 126576057

IUPACN,N-dimethyl-3-pentan-3-yloxypropan-1-amine
SMILESCCC(CC)OCCCN(C)C
InChIInChI=1S/C10H23NO/c1-5-10(6-2)12-9-7-8-11(3)4/h10H,5-9H2,1-4H3
InChIKeyJDFNIDLQIVDFPU-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.14
Rot. Bonds7

About N,N-dimethyl-3-pentan-3-yloxypropan-1-amine

N,N-dimethyl-3-pentan-3-yloxypropan-1-amine (PubChem CID 126576057) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N,N-dimethyl-3-pentan-3-yloxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-pentan-3-yloxypropan-1-amine
PubChem CID126576057
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN,N-dimethyl-3-pentan-3-yloxypropan-1-amine
SMILESCCC(CC)OCCCN(C)C
InChIInChI=1S/C10H23NO/c1-5-10(6-2)12-9-7-8-11(3)4/h10H,5-9H2,1-4H3
InChIKeyJDFNIDLQIVDFPU-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-heptadecan-9-yloxy-N,N-dimethylpropan-1-amine
CID 140938522
7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione
CID 171629292
1-pentan-3-yloxydecane
CID 173279604
2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine
CID 62460004
N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane
CID 171629250
2-amino-2-[3-(dimethylamino)propoxy]ethanol
CID 123544441
6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride
CID 171629245
CID 59347745
CID 59347745
2-[2-(dimethylamino)ethoxy]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 21296896
N-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine
CID 164557205
2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine
CID 62458457
N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine
CID 62459512

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pentan-3-yloxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-pentan-3-yloxypropan-1-amine (CID 126576057) is N,N-dimethyl-3-pentan-3-yloxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-pentan-3-yloxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-pentan-3-yloxypropan-1-amine is CCC(CC)OCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-pentan-3-yloxypropan-1-amine?
The InChIKey is JDFNIDLQIVDFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-10(6-2)12-9-7-8-11(3)4/h10H,5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-3-pentan-3-yloxypropan-1-amine?
N,N-dimethyl-3-pentan-3-yloxypropan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pentan-3-yloxypropan-1-amine is sourced from PubChem (CID 126576057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).