N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

C14H20N4O — CID 66117308

IUPACN-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCn1cncc1C(CN)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H20N4O/c1-17-10-16-8-14(17)13(7-15)18(11-4-5-11)9-12-3-2-6-19-12/h2-3,6,8,10-11,13H,4-5,7,9,15H2,1H3
InChIKeyGETIKFSBVZRVTB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.68
Rot. Bonds6

About N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66117308) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66117308
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCn1cncc1C(CN)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H20N4O/c1-17-10-16-8-14(17)13(7-15)18(11-4-5-11)9-12-3-2-6-19-12/h2-3,6,8,10-11,13H,4-5,7,9,15H2,1H3
InChIKeyGETIKFSBVZRVTB-UHFFFAOYSA-N
XLogP1.68
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (CID 66117308) is N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is Cn1cncc1C(CN)N(Cc1ccco1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is GETIKFSBVZRVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17-10-16-8-14(17)13(7-15)18(11-4-5-11)9-12-3-2-6-19-12/h2-3,6,8,10-11,13H,4-5,7,9,15H2,1H3.
What are the key properties of N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66117308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).