hexyl 6,11-diaminoundecanoate

C17H36N2O2 — CID 175415498

IUPAChexyl 6,11-diaminoundecanoate
SMILESCCCCCCOC(=O)CCCCC(N)CCCCCN
InChIInChI=1S/C17H36N2O2/c1-2-3-4-10-15-21-17(20)13-8-7-12-16(19)11-6-5-9-14-18/h16H,2-15,18-19H2,1H3
InChIKeyCIEFZCYJMWOIJQ-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.52
Rot. Bonds15

About hexyl 6,11-diaminoundecanoate

hexyl 6,11-diaminoundecanoate (PubChem CID 175415498) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is hexyl 6,11-diaminoundecanoate.

Molecular Properties

Compound Namehexyl 6,11-diaminoundecanoate
PubChem CID175415498
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Namehexyl 6,11-diaminoundecanoate
SMILESCCCCCCOC(=O)CCCCC(N)CCCCCN
InChIInChI=1S/C17H36N2O2/c1-2-3-4-10-15-21-17(20)13-8-7-12-16(19)11-6-5-9-14-18/h16H,2-15,18-19H2,1H3
InChIKeyCIEFZCYJMWOIJQ-UHFFFAOYSA-N
XLogP3.52
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,7-diaminoheptyl undecanoate
CID 87299658
pentyl 7-aminoheptanoate
CID 61304511
4-aminobutyl octadecanoate
CID 57169146
4-aminobutyl decanoate
CID 57039982
10,10-diaminodecyl decanoate
CID 151831707
bis(4-aminodecyl) butanedioate
CID 175117757
dodecyl 4-aminobutanoate
CID 71385737
butyl 7-aminoheptanoate
CID 20502898
3-heptyldecyl 8-aminooctanoate
CID 169107618
pentyl 4-aminobutanoate
CID 14697328
dipentyl pentadecanedioate
CID 87116442
8-undecanoyloxyoctyl undecanoate
CID 90370349

Frequently Asked Questions

What is the IUPAC name of hexyl 6,11-diaminoundecanoate?
The IUPAC name of hexyl 6,11-diaminoundecanoate (CID 175415498) is hexyl 6,11-diaminoundecanoate.
What is the SMILES notation for hexyl 6,11-diaminoundecanoate?
The canonical SMILES for hexyl 6,11-diaminoundecanoate is CCCCCCOC(=O)CCCCC(N)CCCCCN.
What is the InChIKey of hexyl 6,11-diaminoundecanoate?
The InChIKey is CIEFZCYJMWOIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-2-3-4-10-15-21-17(20)13-8-7-12-16(19)11-6-5-9-14-18/h16H,2-15,18-19H2,1H3.
What are the key properties of hexyl 6,11-diaminoundecanoate?
hexyl 6,11-diaminoundecanoate has a molecular weight of 300.49 g/mol, XLogP of 3.52, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 6,11-diaminoundecanoate is sourced from PubChem (CID 175415498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).