N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine

C24H51NO3 — CID 150947658

IUPACN,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine
SMILESCCCCCCCCC(CCCN(CC(C)C)CC(C)C)C(OC)(OC)OC
InChIInChI=1S/C24H51NO3/c1-9-10-11-12-13-14-16-23(24(26-6,27-7)28-8)17-15-18-25(19-21(2)3)20-22(4)5/h21-23H,9-20H2,1-8H3
InChIKeyLJKGFZUEBUWHIM-UHFFFAOYSA-N
MW401.68 g/mol
LogP6.34
Rot. Bonds19

About N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine

N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine (PubChem CID 150947658) has the molecular formula C24H51NO3 and a molecular weight of 401.68 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine
PubChem CID150947658
Molecular FormulaC24H51NO3
Molecular Weight401.68 g/mol
Exact Mass401.39
IUPAC NameN,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine
SMILESCCCCCCCCC(CCCN(CC(C)C)CC(C)C)C(OC)(OC)OC
InChIInChI=1S/C24H51NO3/c1-9-10-11-12-13-14-16-23(24(26-6,27-7)28-8)17-15-18-25(19-21(2)3)20-22(4)5/h21-23H,9-20H2,1-8H3
InChIKeyLJKGFZUEBUWHIM-UHFFFAOYSA-N
XLogP6.34
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.68
LogP ≤ 56.34
H-Bond Donors ≤ 50
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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Related Compounds

2-methyl-5-(trimethoxymethyl)tridecane
CID 151591018
6-(trimethoxymethyl)tridecane
CID 151806345
2-methyl-4-(trimethoxymethyl)dodecane
CID 150841512
4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
3-(trimethoxymethyl)undecane
CID 150552650
N-butyl-N-[tert-butyl(dimethyl)silyl]-4-(trimethoxymethyl)dodecan-1-amine
CID 150630309
1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
CID 150730779
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine?
The IUPAC name of N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine (CID 150947658) is N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine.
What is the SMILES notation for N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine?
The canonical SMILES for N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine is CCCCCCCCC(CCCN(CC(C)C)CC(C)C)C(OC)(OC)OC.
What is the InChIKey of N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine?
The InChIKey is LJKGFZUEBUWHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO3/c1-9-10-11-12-13-14-16-23(24(26-6,27-7)28-8)17-15-18-25(19-21(2)3)20-22(4)5/h21-23H,9-20H2,1-8H3.
What are the key properties of N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine?
N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine has a molecular weight of 401.68 g/mol, XLogP of 6.34, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine is sourced from PubChem (CID 150947658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).