4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine

C17H37NO — CID 151925387

IUPAC4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine
SMILESCCCCCCCCC(CCCNC)C(C)(C)OC
InChIInChI=1S/C17H37NO/c1-6-7-8-9-10-11-13-16(14-12-15-18-4)17(2,3)19-5/h16,18H,6-15H2,1-5H3
InChIKeySXQKMNVQCJZUNK-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.78
Rot. Bonds13

About 4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine

4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine (PubChem CID 151925387) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine
PubChem CID151925387
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine
SMILESCCCCCCCCC(CCCNC)C(C)(C)OC
InChIInChI=1S/C17H37NO/c1-6-7-8-9-10-11-13-16(14-12-15-18-4)17(2,3)19-5/h16,18H,6-15H2,1-5H3
InChIKeySXQKMNVQCJZUNK-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.78
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 4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine?
The IUPAC name of 4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine (CID 151925387) is 4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine.
What is the SMILES notation for 4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine?
The canonical SMILES for 4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine is CCCCCCCCC(CCCNC)C(C)(C)OC.
What is the InChIKey of 4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine?
The InChIKey is SXQKMNVQCJZUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-6-7-8-9-10-11-13-16(14-12-15-18-4)17(2,3)19-5/h16,18H,6-15H2,1-5H3.
What are the key properties of 4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine?
4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 4.78, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropan-2-yl)-N-methyldodecan-1-amine is sourced from PubChem (CID 151925387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).