N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine

C35H69N5 — CID 67680686

IUPACN-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
SMILESCN1CCC(C(C2CCN(C)CC2)C(CCCCCC(C)(C)C)N(C2CCN(C)CC2)C2CCN(C)CC2)CC1
InChIInChI=1S/C35H69N5/c1-35(2,3)20-10-8-9-11-33(34(29-12-21-36(4)22-13-29)30-14-23-37(5)24-15-30)40(31-16-25-38(6)26-17-31)32-18-27-39(7)28-19-32/h29-34H,8-28H2,1-7H3
InChIKeyQHEBPHJDYGMYCO-UHFFFAOYSA-N
MW559.97 g/mol
LogP6.14
Rot. Bonds11

About N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine

N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine (PubChem CID 67680686) has the molecular formula C35H69N5 and a molecular weight of 559.97 g/mol. Its IUPAC name is N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
PubChem CID67680686
Molecular FormulaC35H69N5
Molecular Weight559.97 g/mol
Exact Mass559.56
IUPAC NameN-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
SMILESCN1CCC(C(C2CCN(C)CC2)C(CCCCCC(C)(C)C)N(C2CCN(C)CC2)C2CCN(C)CC2)CC1
InChIInChI=1S/C35H69N5/c1-35(2,3)20-10-8-9-11-33(34(29-12-21-36(4)22-13-29)30-14-23-37(5)24-15-30)40(31-16-25-38(6)26-17-31)32-18-27-39(7)28-19-32/h29-34H,8-28H2,1-7H3
InChIKeyQHEBPHJDYGMYCO-UHFFFAOYSA-N
XLogP6.14
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.97
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine (CID 67680686) is N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine is CN1CCC(C(C2CCN(C)CC2)C(CCCCCC(C)(C)C)N(C2CCN(C)CC2)C2CCN(C)CC2)CC1.
What is the InChIKey of N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The InChIKey is QHEBPHJDYGMYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H69N5/c1-35(2,3)20-10-8-9-11-33(34(29-12-21-36(4)22-13-29)30-14-23-37(5)24-15-30)40(31-16-25-38(6)26-17-31)32-18-27-39(7)28-19-32/h29-34H,8-28H2,1-7H3.
What are the key properties of N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine has a molecular weight of 559.97 g/mol, XLogP of 6.14, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 67680686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).