1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine

C20H27N5 — CID 142445734

IUPAC1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine
SMILES[H]/N=C/c1c(N)ccc2nc(N3CCC(NC)CC3)c3c(c12)CCCC3
InChIInChI=1S/C20H27N5/c1-23-13-8-10-25(11-9-13)20-15-5-3-2-4-14(15)19-16(12-21)17(22)6-7-18(19)24-20/h6-7,12-13,21,23H,2-5,8-11,22H2,1H3/b21-12+
InChIKeyDHJWUYFCSGXGTB-CIAFOILYSA-N
MW337.47 g/mol
LogP2.88
Rot. Bonds3

About 1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine

1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine (PubChem CID 142445734) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine.

Molecular Properties

Compound Name1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine
PubChem CID142445734
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine
SMILES[H]/N=C/c1c(N)ccc2nc(N3CCC(NC)CC3)c3c(c12)CCCC3
InChIInChI=1S/C20H27N5/c1-23-13-8-10-25(11-9-13)20-15-5-3-2-4-14(15)19-16(12-21)17(22)6-7-18(19)24-20/h6-7,12-13,21,23H,2-5,8-11,22H2,1H3/b21-12+
InChIKeyDHJWUYFCSGXGTB-CIAFOILYSA-N
XLogP2.88
TPSA78.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine?
The IUPAC name of 1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine (CID 142445734) is 1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine.
What is the SMILES notation for 1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine?
The canonical SMILES for 1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine is [H]/N=C/c1c(N)ccc2nc(N3CCC(NC)CC3)c3c(c12)CCCC3.
What is the InChIKey of 1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine?
The InChIKey is DHJWUYFCSGXGTB-CIAFOILYSA-N. The full InChI is InChI=1S/C20H27N5/c1-23-13-8-10-25(11-9-13)20-15-5-3-2-4-14(15)19-16(12-21)17(22)6-7-18(19)24-20/h6-7,12-13,21,23H,2-5,8-11,22H2,1H3/b21-12+.
What are the key properties of 1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine?
1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine has a molecular weight of 337.47 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine is sourced from PubChem (CID 142445734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).