4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine

C29H58N6 — CID 56992487

IUPAC4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine
SMILESCN1CCC(C(C2CCN(C)CC2)C(CCCN)N(C2CCN(C)CC2)C2CCN(C)CC2)CC1
InChIInChI=1S/C29H58N6/c1-31-16-7-24(8-17-31)29(25-9-18-32(2)19-10-25)28(6-5-15-30)35(26-11-20-33(3)21-12-26)27-13-22-34(4)23-14-27/h24-29H,5-23,30H2,1-4H3
InChIKeySGRZEFUFPGYDFS-UHFFFAOYSA-N
MW490.83 g/mol
LogP2.88
Rot. Bonds9

About 4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine

4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine (PubChem CID 56992487) has the molecular formula C29H58N6 and a molecular weight of 490.83 g/mol. Its IUPAC name is 4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine
PubChem CID56992487
Molecular FormulaC29H58N6
Molecular Weight490.83 g/mol
Exact Mass490.47
IUPAC Name4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine
SMILESCN1CCC(C(C2CCN(C)CC2)C(CCCN)N(C2CCN(C)CC2)C2CCN(C)CC2)CC1
InChIInChI=1S/C29H58N6/c1-31-16-7-24(8-17-31)29(25-9-18-32(2)19-10-25)28(6-5-15-30)35(26-11-20-33(3)21-12-26)27-13-22-34(4)23-14-27/h24-29H,5-23,30H2,1-4H3
InChIKeySGRZEFUFPGYDFS-UHFFFAOYSA-N
XLogP2.88
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine?
The IUPAC name of 4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine (CID 56992487) is 4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine.
What is the SMILES notation for 4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine?
The canonical SMILES for 4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine is CN1CCC(C(C2CCN(C)CC2)C(CCCN)N(C2CCN(C)CC2)C2CCN(C)CC2)CC1.
What is the InChIKey of 4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine?
The InChIKey is SGRZEFUFPGYDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N6/c1-31-16-7-24(8-17-31)29(25-9-18-32(2)19-10-25)28(6-5-15-30)35(26-11-20-33(3)21-12-26)27-13-22-34(4)23-14-27/h24-29H,5-23,30H2,1-4H3.
What are the key properties of 4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine?
4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine has a molecular weight of 490.83 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5,5-tetrakis(1-methylpiperidin-4-yl)pentane-1,4-diamine is sourced from PubChem (CID 56992487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).