N-decyl-4-(trimethoxymethyl)dodecan-1-amine

C26H55NO3 — CID 150160600

IUPACN-decyl-4-(trimethoxymethyl)dodecan-1-amine
SMILESCCCCCCCCCCNCCCC(CCCCCCCC)C(OC)(OC)OC
InChIInChI=1S/C26H55NO3/c1-6-8-10-12-14-15-17-19-23-27-24-20-22-25(26(28-3,29-4)30-5)21-18-16-13-11-9-7-2/h25,27H,6-24H2,1-5H3
InChIKeyFHIQEYVDUBLBOR-UHFFFAOYSA-N
MW429.73 g/mol
LogP7.46
Rot. Bonds24

About N-decyl-4-(trimethoxymethyl)dodecan-1-amine

N-decyl-4-(trimethoxymethyl)dodecan-1-amine (PubChem CID 150160600) has the molecular formula C26H55NO3 and a molecular weight of 429.73 g/mol. Its IUPAC name is N-decyl-4-(trimethoxymethyl)dodecan-1-amine.

Molecular Properties

Compound NameN-decyl-4-(trimethoxymethyl)dodecan-1-amine
PubChem CID150160600
Molecular FormulaC26H55NO3
Molecular Weight429.73 g/mol
Exact Mass429.42
IUPAC NameN-decyl-4-(trimethoxymethyl)dodecan-1-amine
SMILESCCCCCCCCCCNCCCC(CCCCCCCC)C(OC)(OC)OC
InChIInChI=1S/C26H55NO3/c1-6-8-10-12-14-15-17-19-23-27-24-20-22-25(26(28-3,29-4)30-5)21-18-16-13-11-9-7-2/h25,27H,6-24H2,1-5H3
InChIKeyFHIQEYVDUBLBOR-UHFFFAOYSA-N
XLogP7.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.73
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-decyl-4-(trimethoxymethyl)dodecan-1-amine?
The IUPAC name of N-decyl-4-(trimethoxymethyl)dodecan-1-amine (CID 150160600) is N-decyl-4-(trimethoxymethyl)dodecan-1-amine.
What is the SMILES notation for N-decyl-4-(trimethoxymethyl)dodecan-1-amine?
The canonical SMILES for N-decyl-4-(trimethoxymethyl)dodecan-1-amine is CCCCCCCCCCNCCCC(CCCCCCCC)C(OC)(OC)OC.
What is the InChIKey of N-decyl-4-(trimethoxymethyl)dodecan-1-amine?
The InChIKey is FHIQEYVDUBLBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55NO3/c1-6-8-10-12-14-15-17-19-23-27-24-20-22-25(26(28-3,29-4)30-5)21-18-16-13-11-9-7-2/h25,27H,6-24H2,1-5H3.
What are the key properties of N-decyl-4-(trimethoxymethyl)dodecan-1-amine?
N-decyl-4-(trimethoxymethyl)dodecan-1-amine has a molecular weight of 429.73 g/mol, XLogP of 7.46, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-(trimethoxymethyl)dodecan-1-amine is sourced from PubChem (CID 150160600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).