2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine

C19H40N2 — CID 63465793

IUPAC2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
SMILESCCCCCCCC(C)(CN)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H40N2/c1-6-7-8-9-10-13-19(5,16-20)21-14-11-17(12-15-21)18(2,3)4/h17H,6-16,20H2,1-5H3
InChIKeyQXOQBRIJYOCPLB-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.82
Rot. Bonds8

About 2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine

2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine (PubChem CID 63465793) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
PubChem CID63465793
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
SMILESCCCCCCCC(C)(CN)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H40N2/c1-6-7-8-9-10-13-19(5,16-20)21-14-11-17(12-15-21)18(2,3)4/h17H,6-16,20H2,1-5H3
InChIKeyQXOQBRIJYOCPLB-UHFFFAOYSA-N
XLogP4.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
CID 80557474
2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine
CID 79175486
2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine
CID 63465976
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534
2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine
CID 63169684
2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine
CID 80557366
2-(2,6-dimethylmorpholin-4-yl)-2-methyloctan-1-amine
CID 43089493
2-methyl-2-(2-methylmorpholin-4-yl)nonan-1-amine
CID 43130140
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine (CID 63465793) is 2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine is CCCCCCCC(C)(CN)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine?
The InChIKey is QXOQBRIJYOCPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-7-8-9-10-13-19(5,16-20)21-14-11-17(12-15-21)18(2,3)4/h17H,6-16,20H2,1-5H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine?
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine is sourced from PubChem (CID 63465793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).