N,N-dimethyl-2,3-dioctoxybutan-2-amine

C22H47NO2 — CID 141320340

IUPACN,N-dimethyl-2,3-dioctoxybutan-2-amine
SMILESCCCCCCCCOC(C)C(C)(OCCCCCCCC)N(C)C
InChIInChI=1S/C22H47NO2/c1-7-9-11-13-15-17-19-24-21(3)22(4,23(5)6)25-20-18-16-14-12-10-8-2/h21H,7-20H2,1-6H3
InChIKeyFLAZGMPEHOGPPN-UHFFFAOYSA-N
MW357.62 g/mol
LogP6.41
Rot. Bonds18

About N,N-dimethyl-2,3-dioctoxybutan-2-amine

N,N-dimethyl-2,3-dioctoxybutan-2-amine (PubChem CID 141320340) has the molecular formula C22H47NO2 and a molecular weight of 357.62 g/mol. Its IUPAC name is N,N-dimethyl-2,3-dioctoxybutan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,3-dioctoxybutan-2-amine
PubChem CID141320340
Molecular FormulaC22H47NO2
Molecular Weight357.62 g/mol
Exact Mass357.36
IUPAC NameN,N-dimethyl-2,3-dioctoxybutan-2-amine
SMILESCCCCCCCCOC(C)C(C)(OCCCCCCCC)N(C)C
InChIInChI=1S/C22H47NO2/c1-7-9-11-13-15-17-19-24-21(3)22(4,23(5)6)25-20-18-16-14-12-10-8-2/h21H,7-20H2,1-6H3
InChIKeyFLAZGMPEHOGPPN-UHFFFAOYSA-N
XLogP6.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.62
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,2-dimethyl-3-octoxybutan-1-ol
CID 18961352
1-(2,3-dimethylbutan-2-yloxy)decane
CID 172756117
N,N-dimethyl-1-tetradecoxypropan-1-amine
CID 175405088
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
1-pentan-3-yloxydecane
CID 173279604
2,2-dimethyl-3-pentoxypentane
CID 23119504
3-methyl-2,3-dioctadecoxybutan-1-amine
CID 146317626
1-heptacontoxyethanol
CID 169098461
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
1-(1-fluoroethoxy)tridecane
CID 175410550
propan-2-yl 2,2-didodecoxypropanoate
CID 20559771

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3-dioctoxybutan-2-amine?
The IUPAC name of N,N-dimethyl-2,3-dioctoxybutan-2-amine (CID 141320340) is N,N-dimethyl-2,3-dioctoxybutan-2-amine.
What is the SMILES notation for N,N-dimethyl-2,3-dioctoxybutan-2-amine?
The canonical SMILES for N,N-dimethyl-2,3-dioctoxybutan-2-amine is CCCCCCCCOC(C)C(C)(OCCCCCCCC)N(C)C.
What is the InChIKey of N,N-dimethyl-2,3-dioctoxybutan-2-amine?
The InChIKey is FLAZGMPEHOGPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO2/c1-7-9-11-13-15-17-19-24-21(3)22(4,23(5)6)25-20-18-16-14-12-10-8-2/h21H,7-20H2,1-6H3.
What are the key properties of N,N-dimethyl-2,3-dioctoxybutan-2-amine?
N,N-dimethyl-2,3-dioctoxybutan-2-amine has a molecular weight of 357.62 g/mol, XLogP of 6.41, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3-dioctoxybutan-2-amine is sourced from PubChem (CID 141320340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).