2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine

C20H26N4O2 — CID 138711701

IUPAC2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
SMILESC/C=C1/OCO/C1=C/CNc1ccc2c3c(n(C)c2n1)CCC(NC)C3
InChIInChI=1S/C20H26N4O2/c1-4-17-18(26-12-25-17)9-10-22-19-8-6-14-15-11-13(21-2)5-7-16(15)24(3)20(14)23-19/h4,6,8-9,13,21H,5,7,10-12H2,1-3H3,(H,22,23)/b17-4+,18-9+
InChIKeyWNRCKFQCXSVNIK-GJAKNBBCSA-N
MW354.45 g/mol
LogP2.85
Rot. Bonds4

About 2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine

2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine (PubChem CID 138711701) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine.

Molecular Properties

Compound Name2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
PubChem CID138711701
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
SMILESC/C=C1/OCO/C1=C/CNc1ccc2c3c(n(C)c2n1)CCC(NC)C3
InChIInChI=1S/C20H26N4O2/c1-4-17-18(26-12-25-17)9-10-22-19-8-6-14-15-11-13(21-2)5-7-16(15)24(3)20(14)23-19/h4,6,8-9,13,21H,5,7,10-12H2,1-3H3,(H,22,23)/b17-4+,18-9+
InChIKeyWNRCKFQCXSVNIK-GJAKNBBCSA-N
XLogP2.85
TPSA60.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The IUPAC name of 2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine (CID 138711701) is 2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine.
What is the SMILES notation for 2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The canonical SMILES for 2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine is C/C=C1/OCO/C1=C/CNc1ccc2c3c(n(C)c2n1)CCC(NC)C3.
What is the InChIKey of 2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The InChIKey is WNRCKFQCXSVNIK-GJAKNBBCSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-17-18(26-12-25-17)9-10-22-19-8-6-14-15-11-13(21-2)5-7-16(15)24(3)20(14)23-19/h4,6,8-9,13,21H,5,7,10-12H2,1-3H3,(H,22,23)/b17-4+,18-9+.
What are the key properties of 2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine has a molecular weight of 354.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2E)-2-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]ethyl]-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine is sourced from PubChem (CID 138711701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).