2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine

C18H38N2 — CID 103494824

IUPAC2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
SMILESCCCCCCCC(C)(CN)N1CCC(C(C)C)CC1
InChIInChI=1S/C18H38N2/c1-5-6-7-8-9-12-18(4,15-19)20-13-10-17(11-14-20)16(2)3/h16-17H,5-15,19H2,1-4H3
InChIKeyHKSYAHWENWMYJK-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.43
Rot. Bonds9

About 2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine

2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine (PubChem CID 103494824) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
PubChem CID103494824
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
SMILESCCCCCCCC(C)(CN)N1CCC(C(C)C)CC1
InChIInChI=1S/C18H38N2/c1-5-6-7-8-9-12-18(4,15-19)20-13-10-17(11-14-20)16(2)3/h16-17H,5-15,19H2,1-4H3
InChIKeyHKSYAHWENWMYJK-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.43
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-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine
CID 79175486
2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
CID 80557474
2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine
CID 80557427
3-methoxy-2-methyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103494738
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-(2,6-dimethylmorpholin-4-yl)-2-methyloctan-1-amine
CID 43089493
2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine
CID 80557366

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine?
The IUPAC name of 2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine (CID 103494824) is 2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine?
The canonical SMILES for 2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine is CCCCCCCC(C)(CN)N1CCC(C(C)C)CC1.
What is the InChIKey of 2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine?
The InChIKey is HKSYAHWENWMYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-6-7-8-9-12-18(4,15-19)20-13-10-17(11-14-20)16(2)3/h16-17H,5-15,19H2,1-4H3.
What are the key properties of 2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine?
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine is sourced from PubChem (CID 103494824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).