N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine

C15H29N3O — CID 63726681

IUPACN,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine
SMILESCCCNCc1ccoc1CN(C)CCCN(C)C
InChIInChI=1S/C15H29N3O/c1-5-8-16-12-14-7-11-19-15(14)13-18(4)10-6-9-17(2)3/h7,11,16H,5-6,8-10,12-13H2,1-4H3
InChIKeyFHNSKWQKCFWZKJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.16
Rot. Bonds10

About N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine (PubChem CID 63726681) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine
PubChem CID63726681
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine
SMILESCCCNCc1ccoc1CN(C)CCCN(C)C
InChIInChI=1S/C15H29N3O/c1-5-8-16-12-14-7-11-19-15(14)13-18(4)10-6-9-17(2)3/h7,11,16H,5-6,8-10,12-13H2,1-4H3
InChIKeyFHNSKWQKCFWZKJ-UHFFFAOYSA-N
XLogP2.16
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63008130
N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 112665475
N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62421351
3-methoxy-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 63008845
N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 55211059
3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62435794
N-[[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63682547
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 63699522
N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 112665693
N-[[2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62432136
N-ethyl-2-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62418025
N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 62462443

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine (CID 63726681) is N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine is CCCNCc1ccoc1CN(C)CCCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine?
The InChIKey is FHNSKWQKCFWZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-8-16-12-14-7-11-19-15(14)13-18(4)10-6-9-17(2)3/h7,11,16H,5-6,8-10,12-13H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine has a molecular weight of 267.42 g/mol, XLogP of 2.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 63726681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).