2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine

C28H59NO — CID 170065309

IUPAC2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine
SMILESCCCCCC(C)CCCCCCCCCCCCCC(C)CNCCOCCC
InChIInChI=1S/C28H59NO/c1-5-7-17-20-27(3)21-18-15-13-11-9-8-10-12-14-16-19-22-28(4)26-29-23-25-30-24-6-2/h27-29H,5-26H2,1-4H3
InChIKeyPCYSBDHZVYZLPR-UHFFFAOYSA-N
MW425.79 g/mol
LogP8.93
Rot. Bonds25

About 2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine

2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine (PubChem CID 170065309) has the molecular formula C28H59NO and a molecular weight of 425.79 g/mol. Its IUPAC name is 2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine.

Molecular Properties

Compound Name2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine
PubChem CID170065309
Molecular FormulaC28H59NO
Molecular Weight425.79 g/mol
Exact Mass425.46
IUPAC Name2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine
SMILESCCCCCC(C)CCCCCCCCCCCCCC(C)CNCCOCCC
InChIInChI=1S/C28H59NO/c1-5-7-17-20-27(3)21-18-15-13-11-9-8-10-12-14-16-19-22-28(4)26-29-23-25-30-24-6-2/h27-29H,5-26H2,1-4H3
InChIKeyPCYSBDHZVYZLPR-UHFFFAOYSA-N
XLogP8.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.79
LogP ≤ 58.93
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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Related Compounds

N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842
3-methyl-1-(3-methylnonadecoxy)nonadecane
CID 88819988
2-methyl-N-(2-undecoxyethyl)butan-1-amine
CID 22091443
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933
4-(2-butoxyethylamino)-3-methylbutan-1-ol
CID 66108115
2-[(2-methylpropan-2-yl)oxymethyl]-N-(2-propoxyethyl)octan-1-amine
CID 54292910
N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906
N-butyl-4-ethoxy-2-methylbutan-1-amine
CID 156824586
1-(2-hydroxyethylamino)-3-(8-methylheptadecoxy)propan-2-ol
CID 101143561
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932
3-methyl-N-(2-methylpropyl)octan-1-amine
CID 81019689
(11R,17S)-11,17-dimethylhentriacontane
CID 11762375

Frequently Asked Questions

What is the IUPAC name of 2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine?
The IUPAC name of 2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine (CID 170065309) is 2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine.
What is the SMILES notation for 2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine?
The canonical SMILES for 2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine is CCCCCC(C)CCCCCCCCCCCCCC(C)CNCCOCCC.
What is the InChIKey of 2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine?
The InChIKey is PCYSBDHZVYZLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59NO/c1-5-7-17-20-27(3)21-18-15-13-11-9-8-10-12-14-16-19-22-28(4)26-29-23-25-30-24-6-2/h27-29H,5-26H2,1-4H3.
What are the key properties of 2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine?
2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine has a molecular weight of 425.79 g/mol, XLogP of 8.93, 25 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine is sourced from PubChem (CID 170065309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).