1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine

C17H28N2O — CID 63688288

IUPAC1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine
SMILESCCC(N)C(c1ccco1)N(C)CC1CC2CCC1C2
InChIInChI=1S/C17H28N2O/c1-3-15(18)17(16-5-4-8-20-16)19(2)11-14-10-12-6-7-13(14)9-12/h4-5,8,12-15,17H,3,6-7,9-11,18H2,1-2H3
InChIKeyXFKFECNGKKGLOA-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.43
Rot. Bonds6

About 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine

1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine (PubChem CID 63688288) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine
PubChem CID63688288
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine
SMILESCCC(N)C(c1ccco1)N(C)CC1CC2CCC1C2
InChIInChI=1S/C17H28N2O/c1-3-15(18)17(16-5-4-8-20-16)19(2)11-14-10-12-6-7-13(14)9-12/h4-5,8,12-15,17H,3,6-7,9-11,18H2,1-2H3
InChIKeyXFKFECNGKKGLOA-UHFFFAOYSA-N
XLogP3.43
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine with MolForge

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Related Compounds

1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63725736
1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725204
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 63688861
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide
CID 63682682
1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 63841942
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63681872
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-phenylmethanamine
CID 63682945
(1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol
CID 103960164
ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate
CID 63683321
1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine
CID 79559608
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine
CID 63682552
1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine
CID 63115035

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine?
The IUPAC name of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine (CID 63688288) is 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine is CCC(N)C(c1ccco1)N(C)CC1CC2CCC1C2.
What is the InChIKey of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine?
The InChIKey is XFKFECNGKKGLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-15(18)17(16-5-4-8-20-16)19(2)11-14-10-12-6-7-13(14)9-12/h4-5,8,12-15,17H,3,6-7,9-11,18H2,1-2H3.
What are the key properties of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine?
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 63688288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).