N-(2-dodecoxyprop-2-enyl)butan-1-amine

C19H39NO — CID 88943946

IUPACN-(2-dodecoxyprop-2-enyl)butan-1-amine
SMILESC=C(CNCCCC)OCCCCCCCCCCCC
InChIInChI=1S/C19H39NO/c1-4-6-8-9-10-11-12-13-14-15-17-21-19(3)18-20-16-7-5-2/h20H,3-18H2,1-2H3
InChIKeyPKIFWTCHYDRXRA-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.83
Rot. Bonds17

About N-(2-dodecoxyprop-2-enyl)butan-1-amine

N-(2-dodecoxyprop-2-enyl)butan-1-amine (PubChem CID 88943946) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N-(2-dodecoxyprop-2-enyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-dodecoxyprop-2-enyl)butan-1-amine
PubChem CID88943946
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN-(2-dodecoxyprop-2-enyl)butan-1-amine
SMILESC=C(CNCCCC)OCCCCCCCCCCCC
InChIInChI=1S/C19H39NO/c1-4-6-8-9-10-11-12-13-14-15-17-21-19(3)18-20-16-7-5-2/h20H,3-18H2,1-2H3
InChIKeyPKIFWTCHYDRXRA-UHFFFAOYSA-N
XLogP5.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-dodecoxyprop-2-enyl)butan-1-amine?
The IUPAC name of N-(2-dodecoxyprop-2-enyl)butan-1-amine (CID 88943946) is N-(2-dodecoxyprop-2-enyl)butan-1-amine.
What is the SMILES notation for N-(2-dodecoxyprop-2-enyl)butan-1-amine?
The canonical SMILES for N-(2-dodecoxyprop-2-enyl)butan-1-amine is C=C(CNCCCC)OCCCCCCCCCCCC.
What is the InChIKey of N-(2-dodecoxyprop-2-enyl)butan-1-amine?
The InChIKey is PKIFWTCHYDRXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-4-6-8-9-10-11-12-13-14-15-17-21-19(3)18-20-16-7-5-2/h20H,3-18H2,1-2H3.
What are the key properties of N-(2-dodecoxyprop-2-enyl)butan-1-amine?
N-(2-dodecoxyprop-2-enyl)butan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 5.83, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dodecoxyprop-2-enyl)butan-1-amine is sourced from PubChem (CID 88943946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).