(4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine

C17H37NO — CID 118887640

IUPAC(4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine
SMILESCO[C@@H](CCCNCC(C)(C)C)CCCC(C)(C)C
InChIInChI=1S/C17H37NO/c1-16(2,3)12-8-10-15(19-7)11-9-13-18-14-17(4,5)6/h15,18H,8-14H2,1-7H3/t15-/m1/s1
InChIKeyLQXFHUWNPVPCFH-OAHLLOKOSA-N
MW271.49 g/mol
LogP4.63
Rot. Bonds9

About (4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine

(4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine (PubChem CID 118887640) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is (4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine.

Molecular Properties

Compound Name(4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine
PubChem CID118887640
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name(4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine
SMILESCO[C@@H](CCCNCC(C)(C)C)CCCC(C)(C)C
InChIInChI=1S/C17H37NO/c1-16(2,3)12-8-10-15(19-7)11-9-13-18-14-17(4,5)6/h15,18H,8-14H2,1-7H3/t15-/m1/s1
InChIKeyLQXFHUWNPVPCFH-OAHLLOKOSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine?
The IUPAC name of (4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine (CID 118887640) is (4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine.
What is the SMILES notation for (4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine?
The canonical SMILES for (4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine is CO[C@@H](CCCNCC(C)(C)C)CCCC(C)(C)C.
What is the InChIKey of (4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine?
The InChIKey is LQXFHUWNPVPCFH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H37NO/c1-16(2,3)12-8-10-15(19-7)11-9-13-18-14-17(4,5)6/h15,18H,8-14H2,1-7H3/t15-/m1/s1.
What are the key properties of (4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine?
(4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine is sourced from PubChem (CID 118887640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).