3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine

C19H29NO3 — CID 5171820

IUPAC3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCCOCCCN(Cc1ccc(C)o1)Cc1ccc(C)o1
InChIInChI=1S/C19H29NO3/c1-4-5-12-21-13-6-11-20(14-18-9-7-16(2)22-18)15-19-10-8-17(3)23-19/h7-10H,4-6,11-15H2,1-3H3
InChIKeyLMALMAAJJJXUNW-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.70
Rot. Bonds11

About 3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine

3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 5171820) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID5171820
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCCOCCCN(Cc1ccc(C)o1)Cc1ccc(C)o1
InChIInChI=1S/C19H29NO3/c1-4-5-12-21-13-6-11-20(14-18-9-7-16(2)22-18)15-19-10-8-17(3)23-19/h7-10H,4-6,11-15H2,1-3H3
InChIKeyLMALMAAJJJXUNW-UHFFFAOYSA-N
XLogP4.70
TPSA38.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol
CID 42839321
2-methyl-5-(octoxymethyl)furan
CID 21314380
N-(3-butoxypropyl)-N-butylbutan-1-amine
CID 152720768
[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
CID 46151282
1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24713531
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 42773278
[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017637
2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
CID 112842027
3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 167812715
1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 42682228
N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 51362686
N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 171442310

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine (CID 5171820) is 3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine is CCCCOCCCN(Cc1ccc(C)o1)Cc1ccc(C)o1.
What is the InChIKey of 3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is LMALMAAJJJXUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-5-12-21-13-6-11-20(14-18-9-7-16(2)22-18)15-19-10-8-17(3)23-19/h7-10H,4-6,11-15H2,1-3H3.
What are the key properties of 3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine?
3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 319.45 g/mol, XLogP of 4.70, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 5171820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).