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

C15H26N2O — CID 62556893

IUPACN'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)NCCN(Cc1ccco1)C1CC1
InChIInChI=1S/C15H26N2O/c1-4-15(2,3)16-9-10-17(13-7-8-13)12-14-6-5-11-18-14/h5-6,11,13,16H,4,7-10,12H2,1-3H3
InChIKeyXLSLFAXXLWOOCW-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.02
Rot. Bonds8

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

N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 62556893) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID62556893
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)NCCN(Cc1ccco1)C1CC1
InChIInChI=1S/C15H26N2O/c1-4-15(2,3)16-9-10-17(13-7-8-13)12-14-6-5-11-18-14/h5-6,11,13,16H,4,7-10,12H2,1-3H3
InChIKeyXLSLFAXXLWOOCW-UHFFFAOYSA-N
XLogP3.02
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62569642
N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine
CID 62261273
1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine
CID 62623373
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 65251772
N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62573857
1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine
CID 62623196
N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558803
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259205
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62556721
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556371
3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79630506

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine (CID 62556893) is N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine is CCC(C)(C)NCCN(Cc1ccco1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is XLSLFAXXLWOOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-15(2,3)16-9-10-17(13-7-8-13)12-14-6-5-11-18-14/h5-6,11,13,16H,4,7-10,12H2,1-3H3.
What are the key properties of N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62556893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).