1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine

C15H28N2O — CID 61377688

IUPAC1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(CC(C)C)CC(C)C)o1
InChIInChI=1S/C15H28N2O/c1-11(2)9-17(10-12(3)4)14(8-16)15-7-6-13(5)18-15/h6-7,11-12,14H,8-10,16H2,1-5H3
InChIKeyDINWXPYTCBBSOQ-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.20
Rot. Bonds7

About 1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine

1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine (PubChem CID 61377688) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
PubChem CID61377688
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(CC(C)C)CC(C)C)o1
InChIInChI=1S/C15H28N2O/c1-11(2)9-17(10-12(3)4)14(8-16)15-7-6-13(5)18-15/h6-7,11-12,14H,8-10,16H2,1-5H3
InChIKeyDINWXPYTCBBSOQ-UHFFFAOYSA-N
XLogP3.20
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine (CID 61377688) is 1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine is Cc1ccc(C(CN)N(CC(C)C)CC(C)C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is DINWXPYTCBBSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11(2)9-17(10-12(3)4)14(8-16)15-7-6-13(5)18-15/h6-7,11-12,14H,8-10,16H2,1-5H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine?
1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 252.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 61377688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).