4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine

C15H31NO — CID 83160233

IUPAC4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine
SMILESCCCCOCCC(C)(CNCCC)C1CC1
InChIInChI=1S/C15H31NO/c1-4-6-11-17-12-9-15(3,14-7-8-14)13-16-10-5-2/h14,16H,4-13H2,1-3H3
InChIKeyQKUMFFGKVVFXKM-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds11

About 4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine

4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine (PubChem CID 83160233) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine
PubChem CID83160233
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine
SMILESCCCCOCCC(C)(CNCCC)C1CC1
InChIInChI=1S/C15H31NO/c1-4-6-11-17-12-9-15(3,14-7-8-14)13-16-10-5-2/h14,16H,4-13H2,1-3H3
InChIKeyQKUMFFGKVVFXKM-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
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

2-cyclopropyl-2-methyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 83160505
2-cyclopropyl-N-(2-methoxyethyl)-2-methyldecan-1-amine
CID 83160454
2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine
CID 83160593
2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine
CID 83160326
2-cyclopropyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
CID 83159680
2-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
4-[2-(2-butoxyethoxy)ethoxy]-2-cyclopropyl-2-methylbutanoic acid
CID 104565072
2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine
CID 104649541
2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 83159233
2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 62724846
2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
2-methyl-1-octoxy-3-(propylamino)propan-2-ol
CID 66335798

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine (CID 83160233) is 4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine is CCCCOCCC(C)(CNCCC)C1CC1.
What is the InChIKey of 4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine?
The InChIKey is QKUMFFGKVVFXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-6-11-17-12-9-15(3,14-7-8-14)13-16-10-5-2/h14,16H,4-13H2,1-3H3.
What are the key properties of 4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine?
4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 83160233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).