2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine

C16H29N3O — CID 105418195

IUPAC2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
SMILESCC(CNCc1ccco1)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H29N3O/c1-14(11-17-12-15-7-5-10-20-15)19(4)13-16(18(2)3)8-6-9-16/h5,7,10,14,17H,6,8-9,11-13H2,1-4H3
InChIKeyIKUHERHSUPXHOM-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.17
Rot. Bonds8

About 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine (PubChem CID 105418195) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
PubChem CID105418195
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
SMILESCC(CNCc1ccco1)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H29N3O/c1-14(11-17-12-15-7-5-10-20-15)19(4)13-16(18(2)3)8-6-9-16/h5,7,10,14,17H,6,8-9,11-13H2,1-4H3
InChIKeyIKUHERHSUPXHOM-UHFFFAOYSA-N
XLogP2.17
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine with MolForge

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Related Compounds

2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569948
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569923
2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 55226797
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569447
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine
CID 62570331
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 105418216
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide
CID 78915193
N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62559417
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 64521491
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62570167
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)propane-1,2-diamine
CID 62568181

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine (CID 105418195) is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine is CC(CNCc1ccco1)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is IKUHERHSUPXHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-14(11-17-12-15-7-5-10-20-15)19(4)13-16(18(2)3)8-6-9-16/h5,7,10,14,17H,6,8-9,11-13H2,1-4H3.
What are the key properties of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine?
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 105418195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).