2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine

C17H37N3 — CID 62885069

IUPAC2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine
SMILESCCCCCCCC(C)(CN)N1CCCC1CN(C)C
InChIInChI=1S/C17H37N3/c1-5-6-7-8-9-12-17(2,15-18)20-13-10-11-16(20)14-19(3)4/h16H,5-15,18H2,1-4H3
InChIKeyCMCFMIDHBNXIFB-UHFFFAOYSA-N
MW283.50 g/mol
LogP3.09
Rot. Bonds10

About 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine (PubChem CID 62885069) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine
PubChem CID62885069
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine
SMILESCCCCCCCC(C)(CN)N1CCCC1CN(C)C
InChIInChI=1S/C17H37N3/c1-5-6-7-8-9-12-17(2,15-18)20-13-10-11-16(20)14-19(3)4/h16H,5-15,18H2,1-4H3
InChIKeyCMCFMIDHBNXIFB-UHFFFAOYSA-N
XLogP3.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylpiperidin-1-yl)-2-methylnonan-1-amine
CID 43266378
2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine
CID 80557427
1-(6-methyldodecan-6-yl)pyrrolidin-2-amine
CID 170325114
(2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine
CID 146553988
1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 80557428
1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine
CID 21132217
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
2-benzyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-1-amine
CID 79008804
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine
CID 62885740
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine (CID 62885069) is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine is CCCCCCCC(C)(CN)N1CCCC1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine?
The InChIKey is CMCFMIDHBNXIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-5-6-7-8-9-12-17(2,15-18)20-13-10-11-16(20)14-19(3)4/h16H,5-15,18H2,1-4H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine?
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 3.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine is sourced from PubChem (CID 62885069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).