1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine

C21H44N2 — CID 138466968

IUPAC1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine
SMILESCCC(CCCCCN(C)C1CCN(C(C)(C)C)CC1)C(C)C
InChIInChI=1S/C21H44N2/c1-8-19(18(2)3)12-10-9-11-15-22(7)20-13-16-23(17-14-20)21(4,5)6/h18-20H,8-17H2,1-7H3
InChIKeyIGHGKOOXQVKDSQ-UHFFFAOYSA-N
MW324.60 g/mol
LogP5.42
Rot. Bonds9

About 1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine

1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine (PubChem CID 138466968) has the molecular formula C21H44N2 and a molecular weight of 324.60 g/mol. Its IUPAC name is 1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine
PubChem CID138466968
Molecular FormulaC21H44N2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC Name1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine
SMILESCCC(CCCCCN(C)C1CCN(C(C)(C)C)CC1)C(C)C
InChIInChI=1S/C21H44N2/c1-8-19(18(2)3)12-10-9-11-15-22(7)20-13-16-23(17-14-20)21(4,5)6/h18-20H,8-17H2,1-7H3
InChIKeyIGHGKOOXQVKDSQ-UHFFFAOYSA-N
XLogP5.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine (CID 138466968) is 1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine is CCC(CCCCCN(C)C1CCN(C(C)(C)C)CC1)C(C)C.
What is the InChIKey of 1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine?
The InChIKey is IGHGKOOXQVKDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2/c1-8-19(18(2)3)12-10-9-11-15-22(7)20-13-16-23(17-14-20)21(4,5)6/h18-20H,8-17H2,1-7H3.
What are the key properties of 1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine?
1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine has a molecular weight of 324.60 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(6-ethyl-7-methyloctyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 138466968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).