2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine

C17H37N — CID 63509093

IUPAC2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
SMILESCCCCCCCC(C)(CCC)CNCC(C)C
InChIInChI=1S/C17H37N/c1-6-8-9-10-11-13-17(5,12-7-2)15-18-14-16(3)4/h16,18H,6-15H2,1-5H3
InChIKeyMNYKHQVDMIYAGI-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.40
Rot. Bonds12

About 2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine

2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine (PubChem CID 63509093) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
PubChem CID63509093
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
SMILESCCCCCCCC(C)(CCC)CNCC(C)C
InChIInChI=1S/C17H37N/c1-6-8-9-10-11-13-17(5,12-7-2)15-18-14-16(3)4/h16,18H,6-15H2,1-5H3
InChIKeyMNYKHQVDMIYAGI-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-2-propylnonan-1-amine
CID 63509075
2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine
CID 55161198
N,2-dimethyl-N-(3-methylbutan-2-yl)-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 55195786
4-methyl-4-propylnonane
CID 54241684
3,3-dimethyl-N-(2-methylpropyl)octan-1-amine
CID 81033930
N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63699320
2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldodecane
CID 56619966
3-ethyl-3-methyldecane
CID 545661
N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 102997053
13-methyl-13-octylhentriacontane
CID 173152457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine (CID 63509093) is 2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine is CCCCCCCC(C)(CCC)CNCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine?
The InChIKey is MNYKHQVDMIYAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-6-8-9-10-11-13-17(5,12-7-2)15-18-14-16(3)4/h16,18H,6-15H2,1-5H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine?
2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine has a molecular weight of 255.49 g/mol, XLogP of 5.40, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine is sourced from PubChem (CID 63509093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).