N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine

C16H26N2O — CID 62573857

IUPACN-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESc1coc(CN(CCNC2CCCCC2)C2CC2)c1
InChIInChI=1S/C16H26N2O/c1-2-5-14(6-3-1)17-10-11-18(15-8-9-15)13-16-7-4-12-19-16/h4,7,12,14-15,17H,1-3,5-6,8-11,13H2
InChIKeyWWNOOLWEZHWADS-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.17
Rot. Bonds7

About N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine

N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62573857) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
PubChem CID62573857
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESc1coc(CN(CCNC2CCCCC2)C2CC2)c1
InChIInChI=1S/C16H26N2O/c1-2-5-14(6-3-1)17-10-11-18(15-8-9-15)13-16-7-4-12-19-16/h4,7,12,14-15,17H,1-3,5-6,8-11,13H2
InChIKeyWWNOOLWEZHWADS-UHFFFAOYSA-N
XLogP3.17
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(furan-2-ylmethyl)amino]ethanol
CID 62016796
N-[3-(furan-2-yl)propyl]cycloheptanamine
CID 60984430
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62556893
N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine
CID 55053333
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
CID 60663449
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556371
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 55003773
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62556721
N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 116679776
N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558803

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine (CID 62573857) is N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine is c1coc(CN(CCNC2CCCCC2)C2CC2)c1.
What is the InChIKey of N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is WWNOOLWEZHWADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-5-14(6-3-1)17-10-11-18(15-8-9-15)13-16-7-4-12-19-16/h4,7,12,14-15,17H,1-3,5-6,8-11,13H2.
What are the key properties of N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62573857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).