N-(4-methoxybutyl)-2-methylidenebutan-1-amine

C10H21NO — CID 66046174

IUPACN-(4-methoxybutyl)-2-methylidenebutan-1-amine
SMILESC=C(CC)CNCCCCOC
InChIInChI=1S/C10H21NO/c1-4-10(2)9-11-7-5-6-8-12-3/h11H,2,4-9H2,1,3H3
InChIKeyYLBCDHZCHMITKV-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds8

About N-(4-methoxybutyl)-2-methylidenebutan-1-amine

N-(4-methoxybutyl)-2-methylidenebutan-1-amine (PubChem CID 66046174) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(4-methoxybutyl)-2-methylidenebutan-1-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-2-methylidenebutan-1-amine
PubChem CID66046174
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(4-methoxybutyl)-2-methylidenebutan-1-amine
SMILESC=C(CC)CNCCCCOC
InChIInChI=1S/C10H21NO/c1-4-10(2)9-11-7-5-6-8-12-3/h11H,2,4-9H2,1,3H3
InChIKeyYLBCDHZCHMITKV-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-2-methylidenebutan-1-amine?
The IUPAC name of N-(4-methoxybutyl)-2-methylidenebutan-1-amine (CID 66046174) is N-(4-methoxybutyl)-2-methylidenebutan-1-amine.
What is the SMILES notation for N-(4-methoxybutyl)-2-methylidenebutan-1-amine?
The canonical SMILES for N-(4-methoxybutyl)-2-methylidenebutan-1-amine is C=C(CC)CNCCCCOC.
What is the InChIKey of N-(4-methoxybutyl)-2-methylidenebutan-1-amine?
The InChIKey is YLBCDHZCHMITKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(2)9-11-7-5-6-8-12-3/h11H,2,4-9H2,1,3H3.
What are the key properties of N-(4-methoxybutyl)-2-methylidenebutan-1-amine?
N-(4-methoxybutyl)-2-methylidenebutan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-2-methylidenebutan-1-amine is sourced from PubChem (CID 66046174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).