3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine

C32H68N2O — CID 87698187

IUPAC3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine
SMILESCCCCCCCCCCC(C(CC)OC(CC)C(CCCCCCCCCC)N(C)C)N(C)C
InChIInChI=1S/C32H68N2O/c1-9-13-15-17-19-21-23-25-27-29(33(5)6)31(11-3)35-32(12-4)30(34(7)8)28-26-24-22-20-18-16-14-10-2/h29-32H,9-28H2,1-8H3
InChIKeyLRRSALUIKOQQCY-UHFFFAOYSA-N
MW496.91 g/mol
LogP9.48
Rot. Bonds26

About 3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine

3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine (PubChem CID 87698187) has the molecular formula C32H68N2O and a molecular weight of 496.91 g/mol. Its IUPAC name is 3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine.

Molecular Properties

Compound Name3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine
PubChem CID87698187
Molecular FormulaC32H68N2O
Molecular Weight496.91 g/mol
Exact Mass496.53
IUPAC Name3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine
SMILESCCCCCCCCCCC(C(CC)OC(CC)C(CCCCCCCCCC)N(C)C)N(C)C
InChIInChI=1S/C32H68N2O/c1-9-13-15-17-19-21-23-25-27-29(33(5)6)31(11-3)35-32(12-4)30(34(7)8)28-26-24-22-20-18-16-14-10-2/h29-32H,9-28H2,1-8H3
InChIKeyLRRSALUIKOQQCY-UHFFFAOYSA-N
XLogP9.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.91
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(dimethylamino)decan-3-yloxy]-N,N-dimethyldecan-4-amine
CID 87698192
3-(dimethylamino)decan-2-ol
CID 87744632
N,N,4-trimethylnonan-3-amine
CID 123453361
2-methyl-3-(2-methyloctadecan-3-yloxy)octadecane
CID 19369989
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N,3-trimethyl-2-silyloxynonadecan-4-amine
CID 123751009
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine?
The IUPAC name of 3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine (CID 87698187) is 3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine.
What is the SMILES notation for 3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine?
The canonical SMILES for 3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine is CCCCCCCCCCC(C(CC)OC(CC)C(CCCCCCCCCC)N(C)C)N(C)C.
What is the InChIKey of 3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine?
The InChIKey is LRRSALUIKOQQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68N2O/c1-9-13-15-17-19-21-23-25-27-29(33(5)6)31(11-3)35-32(12-4)30(34(7)8)28-26-24-22-20-18-16-14-10-2/h29-32H,9-28H2,1-8H3.
What are the key properties of 3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine?
3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine has a molecular weight of 496.91 g/mol, XLogP of 9.48, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine is sourced from PubChem (CID 87698187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).