5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine

C15H33N — CID 63496033

IUPAC5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine
SMILESCCCNCC(CCC(C)(C)C)CC(C)C
InChIInChI=1S/C15H33N/c1-7-10-16-12-14(11-13(2)3)8-9-15(4,5)6/h13-14,16H,7-12H2,1-6H3
InChIKeyDIZUXZPCXUNVCH-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.47
Rot. Bonds8

About 5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine

5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine (PubChem CID 63496033) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine
PubChem CID63496033
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine
SMILESCCCNCC(CCC(C)(C)C)CC(C)C
InChIInChI=1S/C15H33N/c1-7-10-16-12-14(11-13(2)3)8-9-15(4,5)6/h13-14,16H,7-12H2,1-6H3
InChIKeyDIZUXZPCXUNVCH-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.47
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

4-ethyl-N,2-dipropylhexan-1-amine
CID 82930255
5-methyl-N,2-dipropylhexan-1-amine
CID 63497105
N,2-dipropylpentan-1-amine
CID 62530512
5-methoxy-5-methyl-N,2-dipropylhexan-1-amine
CID 103036662
2-methyl-N-propylpropan-1-amine
CID 520943
N-ethyl-2,7,7-trimethyloctan-4-amine
CID 62601319
3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine
CID 81019110
2-cyclopentyl-5,5-dimethyl-N-propylhexan-1-amine
CID 112569928
N-(2-methoxyethyl)-2-(2-methylpropyl)hexan-1-amine
CID 62718637
N-ethyl-2-(2-methylpropyl)decan-1-amine
CID 55194495
2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine
CID 83159399
2-[(3,5-difluorophenyl)methyl]-4-methyl-N-propylpentan-1-amine
CID 105408024

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine?
The IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine (CID 63496033) is 5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine.
What is the SMILES notation for 5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine?
The canonical SMILES for 5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine is CCCNCC(CCC(C)(C)C)CC(C)C.
What is the InChIKey of 5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine?
The InChIKey is DIZUXZPCXUNVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-7-10-16-12-14(11-13(2)3)8-9-15(4,5)6/h13-14,16H,7-12H2,1-6H3.
What are the key properties of 5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine?
5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine is sourced from PubChem (CID 63496033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).