(4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine

C17H37NO — CID 118887683

IUPAC(4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine
SMILESCOCCC(CCCNCC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C17H37NO/c1-16(2,3)13-15(10-12-19-7)9-8-11-18-14-17(4,5)6/h15,18H,8-14H2,1-7H3
InChIKeySYVXTXAQDBWKPR-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.49
Rot. Bonds9

About (4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine

(4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine (PubChem CID 118887683) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is (4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine.

Molecular Properties

Compound Name(4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine
PubChem CID118887683
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name(4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine
SMILESCOCCC(CCCNCC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C17H37NO/c1-16(2,3)13-15(10-12-19-7)9-8-11-18-14-17(4,5)6/h15,18H,8-14H2,1-7H3
InChIKeySYVXTXAQDBWKPR-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
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 (4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine?
The IUPAC name of (4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine (CID 118887683) is (4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine.
What is the SMILES notation for (4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine?
The canonical SMILES for (4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine is COCCC(CCCNCC(C)(C)C)CC(C)(C)C.
What is the InChIKey of (4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine?
The InChIKey is SYVXTXAQDBWKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-16(2,3)13-15(10-12-19-7)9-8-11-18-14-17(4,5)6/h15,18H,8-14H2,1-7H3.
What are the key properties of (4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine?
(4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2,2-dimethylpropyl)-4-(2-methoxyethyl)-6,6-dimethylheptan-1-amine is sourced from PubChem (CID 118887683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).