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

C16H28N2O — CID 62569642

IUPAC2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
SMILESCCC(C)(C)NCC(C)N(Cc1ccco1)C1CC1
InChIInChI=1S/C16H28N2O/c1-5-16(3,4)17-11-13(2)18(14-8-9-14)12-15-7-6-10-19-15/h6-7,10,13-14,17H,5,8-9,11-12H2,1-4H3
InChIKeyIRDMBNKWULOMEE-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.41
Rot. Bonds8

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

2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine (PubChem CID 62569642) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
PubChem CID62569642
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
SMILESCCC(C)(C)NCC(C)N(Cc1ccco1)C1CC1
InChIInChI=1S/C16H28N2O/c1-5-16(3,4)17-11-13(2)18(14-8-9-14)12-15-7-6-10-19-15/h6-7,10,13-14,17H,5,8-9,11-12H2,1-4H3
InChIKeyIRDMBNKWULOMEE-UHFFFAOYSA-N
XLogP3.41
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine with MolForge

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Related Compounds

N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62556893
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 55087669
N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine
CID 62261273
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 64521491
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid
CID 63074216
1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine
CID 62623373
N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62411687
N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259205
1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine
CID 62623196
1-N-cyclopentyl-2-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569713
1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine
CID 62420435

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine (CID 62569642) is 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine is CCC(C)(C)NCC(C)N(Cc1ccco1)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The InChIKey is IRDMBNKWULOMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-16(3,4)17-11-13(2)18(14-8-9-14)12-15-7-6-10-19-15/h6-7,10,13-14,17H,5,8-9,11-12H2,1-4H3.
What are the key properties of 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 62569642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).