1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine

C13H23N3O — CID 83183174

IUPAC1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine
SMILESCN1CCCN(C)C(C(N)Cc2ccco2)C1
InChIInChI=1S/C13H23N3O/c1-15-6-4-7-16(2)13(10-15)12(14)9-11-5-3-8-17-11/h3,5,8,12-13H,4,6-7,9-10,14H2,1-2H3
InChIKeyYPABZZSIPHJBLV-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.79
Rot. Bonds3

About 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine

1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine (PubChem CID 83183174) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine
PubChem CID83183174
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine
SMILESCN1CCCN(C)C(C(N)Cc2ccco2)C1
InChIInChI=1S/C13H23N3O/c1-15-6-4-7-16(2)13(10-15)12(14)9-11-5-3-8-17-11/h3,5,8,12-13H,4,6-7,9-10,14H2,1-2H3
InChIKeyYPABZZSIPHJBLV-UHFFFAOYSA-N
XLogP0.79
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 83183147
1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine
CID 79658342
1-(1,4-dimethyl-1,4-diazepan-2-yl)-4-methoxybutan-1-amine
CID 114856805
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(furan-2-yl)ethanamine
CID 83182354
1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011964
1-(furan-2-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63085135
2-(furan-2-yl)-1-(oxan-4-yl)ethanamine
CID 83175646
1-cyclopentyl-3-(furan-2-yl)propan-2-amine
CID 105029465
[2-(2,6-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261363
[1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-phenylpropyl]hydrazine
CID 105261185
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine
CID 105177457

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine (CID 83183174) is 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine is CN1CCCN(C)C(C(N)Cc2ccco2)C1.
What is the InChIKey of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine?
The InChIKey is YPABZZSIPHJBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-15-6-4-7-16(2)13(10-15)12(14)9-11-5-3-8-17-11/h3,5,8,12-13H,4,6-7,9-10,14H2,1-2H3.
What are the key properties of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine?
1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 83183174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).