N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine

C15H26N2O — CID 62259205

IUPACN-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
SMILESCCNCC(C)(C)CN(Cc1ccco1)C1CC1
InChIInChI=1S/C15H26N2O/c1-4-16-11-15(2,3)12-17(13-7-8-13)10-14-6-5-9-18-14/h5-6,9,13,16H,4,7-8,10-12H2,1-3H3
InChIKeyXUPKKHXUFOMORJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.88
Rot. Bonds8

About N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine

N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 62259205) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
PubChem CID62259205
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
SMILESCCNCC(C)(C)CN(Cc1ccco1)C1CC1
InChIInChI=1S/C15H26N2O/c1-4-16-11-15(2,3)12-17(13-7-8-13)10-14-6-5-9-18-14/h5-6,9,13,16H,4,7-8,10-12H2,1-3H3
InChIKeyXUPKKHXUFOMORJ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine
CID 62261273
3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79630506
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62556893
1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine
CID 62623373
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 62413633
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 65251772
1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine
CID 62623196
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62411687
N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62412040
N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558803
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 75460721

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine (CID 62259205) is N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine is CCNCC(C)(C)CN(Cc1ccco1)C1CC1.
What is the InChIKey of N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is XUPKKHXUFOMORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-16-11-15(2,3)12-17(13-7-8-13)10-14-6-5-9-18-14/h5-6,9,13,16H,4,7-8,10-12H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine?
N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62259205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).