N-(4-methoxybutyl)-3-methylbutan-1-amine

C10H23NO — CID 61814522

IUPACN-(4-methoxybutyl)-3-methylbutan-1-amine
SMILESCC(C)CCNCCCCOC
InChIInChI=1S/C10H23NO/c1-10(2)6-8-11-7-4-5-9-12-3/h10-11H,4-9H2,1-3H3
InChIKeyHVOARFDDKKFMAH-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.10
Rot. Bonds8

About N-(4-methoxybutyl)-3-methylbutan-1-amine

N-(4-methoxybutyl)-3-methylbutan-1-amine (PubChem CID 61814522) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-(4-methoxybutyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-3-methylbutan-1-amine
PubChem CID61814522
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-(4-methoxybutyl)-3-methylbutan-1-amine
SMILESCC(C)CCNCCCCOC
InChIInChI=1S/C10H23NO/c1-10(2)6-8-11-7-4-5-9-12-3/h10-11H,4-9H2,1-3H3
InChIKeyHVOARFDDKKFMAH-UHFFFAOYSA-N
XLogP2.10
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity83

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Ethyltetrahydro-3-furanmethanamine
CID 22355252
3-(Methoxymethyl)pyrrolidine
CID 22993433
3-(2-Methoxyethyl)azetidine
CID 59275896
(1R,3R)-3-fluoro-1-methoxy-N,2-dimethylbutan-1-amine
CID 169853240
N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 60962265
N-ethyl-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62528274
2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62528906
2-methyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62529083
N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62531075
4-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 80365759
N-(3-fluoropropyl)-4-methoxybutan-1-amine
CID 81106572
4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine
CID 82006166

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-3-methylbutan-1-amine?
The IUPAC name of N-(4-methoxybutyl)-3-methylbutan-1-amine (CID 61814522) is N-(4-methoxybutyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-(4-methoxybutyl)-3-methylbutan-1-amine?
The canonical SMILES for N-(4-methoxybutyl)-3-methylbutan-1-amine is CC(C)CCNCCCCOC.
What is the InChIKey of N-(4-methoxybutyl)-3-methylbutan-1-amine?
The InChIKey is HVOARFDDKKFMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-10(2)6-8-11-7-4-5-9-12-3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(4-methoxybutyl)-3-methylbutan-1-amine?
N-(4-methoxybutyl)-3-methylbutan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-3-methylbutan-1-amine is sourced from PubChem (CID 61814522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).