(16R)-16-butyldocosan-7-amine

C26H55N — CID 138605892

IUPAC(16R)-16-butyldocosan-7-amine
SMILESCCCCCCC(N)CCCCCCCC[C@H](CCCC)CCCCCC
InChIInChI=1S/C26H55N/c1-4-7-10-16-21-25(20-9-6-3)22-17-14-12-13-15-19-24-26(27)23-18-11-8-5-2/h25-26H,4-24,27H2,1-3H3/t25-,26?/m1/s1
InChIKeyZBARKLVVIJSIDE-DCWQJPKNSA-N
MW381.73 g/mol
LogP9.18
Rot. Bonds22

About (16R)-16-butyldocosan-7-amine

(16R)-16-butyldocosan-7-amine (PubChem CID 138605892) has the molecular formula C26H55N and a molecular weight of 381.73 g/mol. Its IUPAC name is (16R)-16-butyldocosan-7-amine.

Molecular Properties

Compound Name(16R)-16-butyldocosan-7-amine
PubChem CID138605892
Molecular FormulaC26H55N
Molecular Weight381.73 g/mol
Exact Mass381.43
IUPAC Name(16R)-16-butyldocosan-7-amine
SMILESCCCCCCC(N)CCCCCCCC[C@H](CCCC)CCCCCC
InChIInChI=1S/C26H55N/c1-4-7-10-16-21-25(20-9-6-3)22-17-14-12-13-15-19-24-26(27)23-18-11-8-5-2/h25-26H,4-24,27H2,1-3H3/t25-,26?/m1/s1
InChIKeyZBARKLVVIJSIDE-DCWQJPKNSA-N
XLogP9.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.73
LogP ≤ 59.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-butylhenicosane
CID 91802566
13-butyldotriacontane
CID 91613083
14-butylheptatriacontane
CID 91361474
16-butylhentriacontane
CID 91509035
pentacosan-7-amine
CID 88938409
icosane-5,10,16-triamine
CID 88870264
nonapentacontan-30-amine
CID 118952570
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
9-octyloctadecane
CID 54267850
8-pentylheptadecane
CID 90754347
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023

Frequently Asked Questions

What is the IUPAC name of (16R)-16-butyldocosan-7-amine?
The IUPAC name of (16R)-16-butyldocosan-7-amine (CID 138605892) is (16R)-16-butyldocosan-7-amine.
What is the SMILES notation for (16R)-16-butyldocosan-7-amine?
The canonical SMILES for (16R)-16-butyldocosan-7-amine is CCCCCCC(N)CCCCCCCC[C@H](CCCC)CCCCCC.
What is the InChIKey of (16R)-16-butyldocosan-7-amine?
The InChIKey is ZBARKLVVIJSIDE-DCWQJPKNSA-N. The full InChI is InChI=1S/C26H55N/c1-4-7-10-16-21-25(20-9-6-3)22-17-14-12-13-15-19-24-26(27)23-18-11-8-5-2/h25-26H,4-24,27H2,1-3H3/t25-,26?/m1/s1.
What are the key properties of (16R)-16-butyldocosan-7-amine?
(16R)-16-butyldocosan-7-amine has a molecular weight of 381.73 g/mol, XLogP of 9.18, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (16R)-16-butyldocosan-7-amine is sourced from PubChem (CID 138605892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).