N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine

C16H28N2O — CID 43184733

IUPACN-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine
SMILESCCCCN(CC)C(CN)c1ccc(C2CC2C)o1
InChIInChI=1S/C16H28N2O/c1-4-6-9-18(5-2)14(11-17)16-8-7-15(19-16)13-10-12(13)3/h7-8,12-14H,4-6,9-11,17H2,1-3H3
InChIKeyIZSBLRPFENKASN-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.52
Rot. Bonds8

About N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine

N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine (PubChem CID 43184733) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine
PubChem CID43184733
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine
SMILESCCCCN(CC)C(CN)c1ccc(C2CC2C)o1
InChIInChI=1S/C16H28N2O/c1-4-6-9-18(5-2)14(11-17)16-8-7-15(19-16)13-10-12(13)3/h7-8,12-14H,4-6,9-11,17H2,1-3H3
InChIKeyIZSBLRPFENKASN-UHFFFAOYSA-N
XLogP3.52
TPSA42.40 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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine?
The IUPAC name of N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine (CID 43184733) is N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine?
The canonical SMILES for N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine is CCCCN(CC)C(CN)c1ccc(C2CC2C)o1.
What is the InChIKey of N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine?
The InChIKey is IZSBLRPFENKASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-6-9-18(5-2)14(11-17)16-8-7-15(19-16)13-10-12(13)3/h7-8,12-14H,4-6,9-11,17H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine?
N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 43184733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).