2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine

C14H26N2O — CID 55072234

IUPAC2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)NCC(C(C)C)N(C)Cc1ccoc1
InChIInChI=1S/C14H26N2O/c1-11(2)14(8-15-12(3)4)16(5)9-13-6-7-17-10-13/h6-7,10-12,14-15H,8-9H2,1-5H3
InChIKeySINXWARJJJVSKH-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.73
Rot. Bonds7

About 2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine

2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 55072234) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID55072234
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)NCC(C(C)C)N(C)Cc1ccoc1
InChIInChI=1S/C14H26N2O/c1-11(2)14(8-15-12(3)4)16(5)9-13-6-7-17-10-13/h6-7,10-12,14-15H,8-9H2,1-5H3
InChIKeySINXWARJJJVSKH-UHFFFAOYSA-N
XLogP2.73
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine (CID 55072234) is 2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine is CC(C)NCC(C(C)C)N(C)Cc1ccoc1.
What is the InChIKey of 2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is SINXWARJJJVSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)14(8-15-12(3)4)16(5)9-13-6-7-17-10-13/h6-7,10-12,14-15H,8-9H2,1-5H3.
What are the key properties of 2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 55072234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).