2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine

C17H31N3O — CID 62417857

IUPAC2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCc1oc(CN2CCCN(C)CC2)cc1CNCC(C)C
InChIInChI=1S/C17H31N3O/c1-14(2)11-18-12-16-10-17(21-15(16)3)13-20-7-5-6-19(4)8-9-20/h10,14,18H,5-9,11-13H2,1-4H3
InChIKeyDZUZUMHRXHQVOW-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.47
Rot. Bonds6

About 2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine

2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62417857) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62417857
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCc1oc(CN2CCCN(C)CC2)cc1CNCC(C)C
InChIInChI=1S/C17H31N3O/c1-14(2)11-18-12-16-10-17(21-15(16)3)13-20-7-5-6-19(4)8-9-20/h10,14,18H,5-9,11-13H2,1-4H3
InChIKeyDZUZUMHRXHQVOW-UHFFFAOYSA-N
XLogP2.47
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-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

2-methyl-N-[[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62419602
N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62439093
N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 64582400
N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62431997
N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417298
N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63620461
N-[[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62418259
2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 60962171
2-methyl-N-[[2-methyl-5-(piperidin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62424694
N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62418059
1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62417631
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 107453759

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (CID 62417857) is 2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is Cc1oc(CN2CCCN(C)CC2)cc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is DZUZUMHRXHQVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14(2)11-18-12-16-10-17(21-15(16)3)13-20-7-5-6-19(4)8-9-20/h10,14,18H,5-9,11-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62417857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).