N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine

C13H22N2O — CID 107397834

IUPACN-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine
SMILESCCN(CC1CCC1)C(CN)c1ccoc1
InChIInChI=1S/C13H22N2O/c1-2-15(9-11-4-3-5-11)13(8-14)12-6-7-16-10-12/h6-7,10-11,13H,2-5,8-9,14H2,1H3
InChIKeyJPZRGJAUBMUCCU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.40
Rot. Bonds6

About N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine

N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine (PubChem CID 107397834) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine
PubChem CID107397834
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine
SMILESCCN(CC1CCC1)C(CN)c1ccoc1
InChIInChI=1S/C13H22N2O/c1-2-15(9-11-4-3-5-11)13(8-14)12-6-7-16-10-12/h6-7,10-11,13H,2-5,8-9,14H2,1H3
InChIKeyJPZRGJAUBMUCCU-UHFFFAOYSA-N
XLogP2.40
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine 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

1-(Furan-3-yl)ethanamine
CID 11804704
1-(Furan-3-yl)ethan-1-amine hydrochloride
CID 71756511
(R)-1-(Furan-3-yl)ethan-1-amine hydrochloride
CID 137832506
(1S)-1-(furan-3-yl)ethan-1-amine hydrochloride
CID 137832513
1-(3-furyl)-N-methylethanamine
CID 4715036
2-(4,4-Difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine
CID 58228445
Tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate
CID 131227560
2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine
CID 55282388
4,4,4-trifluoro-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine
CID 61426373
3,3,3-trifluoro-2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine
CID 61426564
1,1,1-trifluoro-2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]butane-2,3-diamine
CID 61647924
1,1,1-trifluoro-2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]pentane-2,3-diamine
CID 61647977

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine (CID 107397834) is N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine is CCN(CC1CCC1)C(CN)c1ccoc1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine?
The InChIKey is JPZRGJAUBMUCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-15(9-11-4-3-5-11)13(8-14)12-6-7-16-10-12/h6-7,10-11,13H,2-5,8-9,14H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine?
N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107397834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).