2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine

C14H25N3O — CID 55121020

IUPAC2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine
SMILESCc1occc1CN(C)CCN1CCCNCC1
InChIInChI=1S/C14H25N3O/c1-13-14(4-11-18-13)12-16(2)9-10-17-7-3-5-15-6-8-17/h4,11,15H,3,5-10,12H2,1-2H3
InChIKeyGWSPHXQYTBWXGV-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.32
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine

2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine (PubChem CID 55121020) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine
PubChem CID55121020
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine
SMILESCc1occc1CN(C)CCN1CCCNCC1
InChIInChI=1S/C14H25N3O/c1-13-14(4-11-18-13)12-16(2)9-10-17-7-3-5-15-6-8-17/h4,11,15H,3,5-10,12H2,1-2H3
InChIKeyGWSPHXQYTBWXGV-UHFFFAOYSA-N
XLogP1.32
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methylfuran-3-yl)methanamine
CID 18525866
2-methyl-N-[2-oxo-2-(4-propylazepan-1-yl)ethyl]furan-3-carboxamide
CID 49090526
2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide
CID 51090831
Tert-butyl 3-[(2-methylfuran-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 72004260
1-(cyclopropanecarbonyl)-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-2-carboxamide
CID 72019173
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 72145293
4H,5H,6H,7H,8H-furo(3,2-c)azepine
CID 12946558
N-diethylaminomethylfurfural
CID 129781563
2-methyl-N-(3-pyrrolidin-1-ylpropyl)furan-3-carboxamide
CID 45796646
ethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate
CID 56781488
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide
CID 91794338
2-methyl-N-[(3S)-2-oxoazepan-3-yl]furan-3-carboxamide
CID 93615234

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine (CID 55121020) is 2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine is Cc1occc1CN(C)CCN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is GWSPHXQYTBWXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-13-14(4-11-18-13)12-16(2)9-10-17-7-3-5-15-6-8-17/h4,11,15H,3,5-10,12H2,1-2H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine?
2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 55121020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).