N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine

C11H26N2O — CID 88915245

IUPACN-methyl-1-[4-(methylamino)butoxy]pentan-2-amine
SMILESCCCC(COCCCCNC)NC
InChIInChI=1S/C11H26N2O/c1-4-7-11(13-3)10-14-9-6-5-8-12-2/h11-13H,4-10H2,1-3H3
InChIKeyNOZGYYDBFOTONL-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.39
Rot. Bonds10

About N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine

N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine (PubChem CID 88915245) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(methylamino)butoxy]pentan-2-amine
PubChem CID88915245
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC NameN-methyl-1-[4-(methylamino)butoxy]pentan-2-amine
SMILESCCCC(COCCCCNC)NC
InChIInChI=1S/C11H26N2O/c1-4-7-11(13-3)10-14-9-6-5-8-12-2/h11-13H,4-10H2,1-3H3
InChIKeyNOZGYYDBFOTONL-UHFFFAOYSA-N
XLogP1.39
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine
CID 106447296
N-methyl-1-(2-methylpropoxy)pentan-2-amine
CID 62044307
6-ethoxy-1-methoxy-N-methylhexan-2-amine
CID 65180928
1-hexoxy-3-methoxy-N-methylpropan-2-amine
CID 107506726
1-methoxy-N-methyl-5-propoxypentan-2-amine
CID 106454502
N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
CID 155331327
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
CID 164959438
3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol
CID 64804616
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
1-ethoxy-N-methyltridecan-2-amine
CID 105008040
6-butoxy-N-methylhexan-3-amine
CID 61483969
1,4-dipropoxybutane;N-methylpentadecan-1-amine
CID 161325834

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine?
The IUPAC name of N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine (CID 88915245) is N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine.
What is the SMILES notation for N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine?
The canonical SMILES for N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine is CCCC(COCCCCNC)NC.
What is the InChIKey of N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine?
The InChIKey is NOZGYYDBFOTONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-4-7-11(13-3)10-14-9-6-5-8-12-2/h11-13H,4-10H2,1-3H3.
What are the key properties of N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine?
N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine has a molecular weight of 202.34 g/mol, XLogP of 1.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine is sourced from PubChem (CID 88915245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).